 Entering Gaussian System, Link 0=g16
 Input=26_junionone_conformer16_STD_M11_augccpVDZ.in
 Output=26_junionone_conformer16_STD_M11_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/Gau-34654.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     34656.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=26_junionone_conformer16_STD_M11_augccpVDZ
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:13:30 2021, MaxMem=  5368709120 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "26_junionone_conformer16_STD_M11_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.485066000000      1.535508000000      0.995717000000
  C                                                -1.964270000000      0.354337000000      0.169547000000
  C                                                -0.934638000000     -0.307866000000     -0.846345000000
  C                                                 0.477967000000      0.112788000000     -0.654337000000
  C                                                 1.471106000000     -0.598339000000     -0.115965000000
  C                                                 2.851804000000     -0.112191000000      0.077031000000
  O                                                 3.682669000000     -0.839361000000      0.588984000000
  C                                                -3.274545000000      0.684558000000     -0.534829000000
  C                                                -2.024735000000     -1.012418000000      0.905189000000
  C                                                -1.363686000000     -1.694239000000     -0.311922000000
  C                                                 3.216658000000      1.291528000000     -0.361451000000
  H                                                -3.015985000000     -1.360206000000      1.197288000000
  H                                                -1.377025000000     -1.026699000000      1.782146000000
  H                                                -1.206644000000     -0.112214000000     -1.887536000000
  H                                                -0.575354000000     -2.414544000000     -0.105810000000
  H                                                -2.088300000000     -2.168848000000     -0.971807000000
  H                                                -1.347999000000      2.427758000000      0.379001000000
  H                                                -0.540528000000      1.319655000000      1.496298000000
  H                                                -2.223853000000      1.776479000000      1.764262000000
  H                                                -4.046771000000      0.944947000000      0.193127000000
  H                                                -3.639778000000     -0.160746000000     -1.121415000000
  H                                                -3.149481000000      1.533679000000     -1.211412000000
  H                                                 0.689742000000      1.126725000000     -0.981414000000
  H                                                 1.317618000000     -1.613357000000      0.229455000000
  H                                                 3.040069000000      1.424253000000     -1.430781000000
  H                                                 4.267803000000      1.463502000000     -0.144304000000
  H                                                 2.611565000000      2.032515000000      0.165225000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 21:13:30 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.485066    1.535508    0.995717
      2          6           0       -1.964270    0.354337    0.169547
      3          6           0       -0.934638   -0.307866   -0.846345
      4          6           0        0.477967    0.112788   -0.654337
      5          6           0        1.471106   -0.598339   -0.115965
      6          6           0        2.851804   -0.112191    0.077031
      7          8           0        3.682669   -0.839361    0.588984
      8          6           0       -3.274545    0.684558   -0.534829
      9          6           0       -2.024735   -1.012418    0.905189
     10          6           0       -1.363686   -1.694239   -0.311922
     11          6           0        3.216658    1.291528   -0.361451
     12          1           0       -3.015985   -1.360206    1.197288
     13          1           0       -1.377025   -1.026699    1.782146
     14          1           0       -1.206644   -0.112214   -1.887536
     15          1           0       -0.575354   -2.414544   -0.105810
     16          1           0       -2.088300   -2.168848   -0.971807
     17          1           0       -1.347999    2.427758    0.379001
     18          1           0       -0.540528    1.319655    1.496298
     19          1           0       -2.223853    1.776479    1.764262
     20          1           0       -4.046771    0.944947    0.193127
     21          1           0       -3.639778   -0.160746   -1.121415
     22          1           0       -3.149481    1.533679   -1.211412
     23          1           0        0.689742    1.126725   -0.981414
     24          1           0        1.317618   -1.613357    0.229455
     25          1           0        3.040069    1.424253   -1.430781
     26          1           0        4.267803    1.463502   -0.144304
     27          1           0        2.611565    2.032515    0.165225
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.518999   0.000000
     3  C    2.663492   1.590815   0.000000
     4  C    2.932628   2.588755   1.486361   0.000000
     5  C    3.811574   3.576439   2.530896   1.334867   0.000000
     6  C    4.729412   4.839502   3.902314   2.494116   1.476453
     7  O    5.701835   5.786948   4.864379   3.566868   2.333679
     8  C    2.503782   1.523815   2.560686   3.797703   4.933809
     9  C    2.606025   1.553333   2.180040   3.156220   3.665395
    10  C    3.486534   2.188419   1.546519   2.602745   3.045561
    11  C    4.899759   5.291720   4.475091   2.995937   2.584340
    12  H    3.281692   2.258764   3.100945   4.219707   4.736989
    13  H    2.682359   2.202860   2.760687   3.267396   3.449372
    14  H    3.332515   2.241262   1.093776   2.099838   3.247326
    15  H    4.200458   3.109921   2.261762   2.792449   2.736184
    16  H    4.237605   2.772099   2.193155   3.448532   3.983508
    17  H    1.093269   2.173186   3.025885   3.124264   4.165286
    18  H    1.090562   2.172360   2.879605   2.668162   3.213217
    19  H    1.092948   2.152437   3.580759   3.989652   4.777838
    20  H    2.748681   2.164760   3.512181   4.678027   5.737964
    21  H    3.464435   2.176975   2.723066   4.153168   5.227194
    22  H    2.764362   2.168553   2.903462   3.935434   5.205317
    23  H    2.967480   2.994173   2.171383   1.086230   2.082157
    24  H    4.284571   3.827035   2.816791   2.113215   1.083114
    25  H    5.135866   5.361826   4.374940   2.981136   2.877719
    26  H    5.865180   6.337782   5.540397   4.055542   3.474695
    27  H    4.209408   4.873866   4.367632   2.984841   2.881164
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.217049   0.000000
     8  C    6.208167   7.210278   0.000000
     9  C    5.027612   5.718776   2.552529   0.000000
    10  C    4.519349   5.196936   3.059370   1.543770   0.000000
    11  C    1.515194   2.379324   6.521824   5.863851   5.467797
    12  H    6.102742   6.746353   2.692237   1.090346   2.262606
    13  H    4.650456   5.201849   3.449254   1.090315   2.197933
    14  H    4.508938   5.528768   2.596320   3.046137   2.238308
    15  H    4.132756   4.592897   4.132085   2.255833   1.087561
    16  H    5.452937   6.124352   3.120906   2.205558   1.088929
    17  H    4.917405   6.002148   2.754162   3.545371   4.179531
    18  H    3.946190   4.829075   3.464632   2.826808   3.609821
    19  H    5.672400   6.565889   2.753555   2.924996   4.134769
    20  H    6.980068   7.942588   1.092728   2.902919   3.797278
    21  H    6.601459   7.550113   1.091795   2.727789   2.861376
    22  H    6.354872   7.453256   1.092892   3.496808   3.797052
    23  H    2.707348   3.910148   4.013791   3.937460   3.552833
    24  H    2.151850   2.514318   5.191580   3.462523   2.736608
    25  H    2.160926   3.101021   6.420610   6.086572   5.510889
    26  H    2.129988   2.486618   7.592515   6.843073   6.458567
    27  H    2.159921   3.094270   6.078927   5.595931   5.469825
                   11         12         13         14         15
    11  C    0.000000
    12  H    6.950338   0.000000
    13  H    5.574146   1.771857   0.000000
    14  H    4.885185   3.787788   3.785747   0.000000
    15  H    5.308453   2.960806   2.476523   2.978892   0.000000
    16  H    6.363122   2.493887   3.065073   2.417772   1.760489
    17  H    4.761867   4.219057   3.728664   3.407144   4.927465
    18  H    4.191476   3.660458   2.507352   3.734206   4.063521
    19  H    5.861143   3.284467   2.928352   4.235269   4.876412
    20  H    7.292810   2.717460   3.679662   3.676013   4.840070
    21  H    7.049635   2.684065   3.781612   2.551360   3.937227
    22  H    6.427192   3.767523   4.319552   2.634525   4.841172
    23  H    2.607071   4.966284   4.067680   2.439735   3.861054
    24  H    3.520494   4.447572   3.164825   3.620356   2.082702
    25  H    1.091909   7.164897   5.986717   4.539155   5.437205
    26  H    1.087030   7.926334   6.463466   5.957458   6.204586
    27  H    1.092056   6.651694   5.280348   4.836570   5.477796
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.847836   0.000000
    18  H    4.544975   1.768687   0.000000
    19  H    4.803130   1.763585   1.764674   0.000000
    20  H    3.858549   3.084906   3.759309   2.546162   0.000000
    21  H    2.542035   3.768800   4.318490   3.752974   1.765282
    22  H    3.859044   2.564006   3.766183   3.125760   1.767615
    23  H    4.310268   2.774131   2.773057   4.055854   4.883354
    24  H    3.654022   4.843396   3.695965   5.136987   5.943308
    25  H    6.278630   4.851543   4.625949   6.167758   7.286296
    26  H    7.367413   5.721964   5.082550   6.773638   8.337560
    27  H    6.405702   3.984980   3.495084   5.099386   6.746630
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.766230   0.000000
    23  H    4.519062   3.867576   0.000000
    24  H    5.339542   5.651098   3.060798   0.000000
    25  H    6.872284   6.194403   2.411325   3.866561   0.000000
    26  H    8.131591   7.493981   3.690080   4.279059   1.778734
    27  H    6.748713   5.944209   2.414258   3.869213   1.760918
                   26         27
    26  H    0.000000
    27  H    1.778400   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.96D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.485066    1.535508    0.995717
      2          6           0       -1.964270    0.354337    0.169547
      3          6           0       -0.934638   -0.307866   -0.846345
      4          6           0        0.477967    0.112788   -0.654337
      5          6           0        1.471106   -0.598339   -0.115965
      6          6           0        2.851804   -0.112191    0.077031
      7          8           0        3.682669   -0.839361    0.588984
      8          6           0       -3.274545    0.684558   -0.534829
      9          6           0       -2.024735   -1.012418    0.905189
     10          6           0       -1.363686   -1.694239   -0.311922
     11          6           0        3.216658    1.291528   -0.361451
     12          1           0       -3.015985   -1.360206    1.197288
     13          1           0       -1.377025   -1.026699    1.782146
     14          1           0       -1.206644   -0.112214   -1.887536
     15          1           0       -0.575354   -2.414544   -0.105810
     16          1           0       -2.088300   -2.168848   -0.971807
     17          1           0       -1.347999    2.427758    0.379001
     18          1           0       -0.540528    1.319655    1.496298
     19          1           0       -2.223853    1.776479    1.764262
     20          1           0       -4.046771    0.944947    0.193127
     21          1           0       -3.639778   -0.160746   -1.121415
     22          1           0       -3.149481    1.533679   -1.211412
     23          1           0        0.689742    1.126725   -0.981414
     24          1           0        1.317618   -1.613357    0.229455
     25          1           0        3.040069    1.424253   -1.430781
     26          1           0        4.267803    1.463502   -0.144304
     27          1           0        2.611565    2.032515    0.165225
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.2237449           0.5495901           0.5003487
 Leave Link  202 at Thu Aug 12 21:13:31 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      8      9     10     11
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 436 were deleted.
 There are   419 symmetry adapted cartesian basis functions of A   symmetry.
 There are   397 symmetry adapted basis functions of A   symmetry.
   397 basis functions,   709 primitive gaussians,   419 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       614.7756254778 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:13:33 2021, MaxMem=  5368709120 cpu:              17.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   397 RedAO= T EigKep=  2.83D-06  NBF=   397
 NBsUse=   397 1.00D-06 EigRej= -1.00D+00 NBFU=   397
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   419   419   419   419   419 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Thu Aug 12 21:13:34 2021, MaxMem=  5368709120 cpu:               6.4 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:13:34 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "26_junionone_conformer16_STD_M11_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:13:35 2021, MaxMem=  5368709120 cpu:               6.6 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368350547 LenY=  5368174545
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.622770593581    
 DIIS: error= 4.02D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.622770593581     IErMin= 1 ErrMin= 4.02D-03
 ErrMax= 4.02D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.34D-02 BMatP= 1.34D-02
 IDIUse=3 WtCom= 9.60D-01 WtEn= 4.02D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.379 Goal=   None    Shift=    0.000
 GapD=    0.379 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=2.97D-02 MaxDP=4.22D+00              OVMax= 2.25D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.47D-02    CP:  1.56D+00
 E= -465.636397751446     Delta-E=       -0.013627157864 Rises=F Damp=F
 DIIS: error= 7.93D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.636397751446     IErMin= 2 ErrMin= 7.93D-04
 ErrMax= 7.93D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.99D-04 BMatP= 1.34D-02
 IDIUse=3 WtCom= 9.92D-01 WtEn= 7.93D-03
 Coeff-Com: -0.706D-02 0.101D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.700D-02 0.101D+01
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=5.38D-03 MaxDP=8.09D-01 DE=-1.36D-02 OVMax= 9.72D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.81D-03    CP:  1.66D+00  1.16D+00
 E= -465.636601188128     Delta-E=       -0.000203436682 Rises=F Damp=F
 DIIS: error= 1.03D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -465.636601188128     IErMin= 2 ErrMin= 7.93D-04
 ErrMax= 1.03D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.30D-04 BMatP= 5.99D-04
 IDIUse=3 WtCom= 2.37D-01 WtEn= 7.63D-01
 Coeff-Com: -0.494D-01 0.555D+00 0.495D+00
 Coeff-En:   0.000D+00 0.370D+00 0.630D+00
 Coeff:     -0.117D-01 0.414D+00 0.598D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=4.67D-04 MaxDP=6.05D-02 DE=-2.03D-04 OVMax= 7.49D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.22D-04    CP:  1.67D+00  1.18D+00  1.04D+00
 E= -465.637039701256     Delta-E=       -0.000438513128 Rises=F Damp=F
 DIIS: error= 4.37D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.637039701256     IErMin= 4 ErrMin= 4.37D-04
 ErrMax= 4.37D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.25D-04 BMatP= 5.99D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.37D-03
 Coeff-Com: -0.607D-02-0.478D-01 0.283D+00 0.771D+00
 Coeff-En:   0.000D+00 0.000D+00 0.117D+00 0.883D+00
 Coeff:     -0.604D-02-0.476D-01 0.282D+00 0.771D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=3.47D-04 MaxDP=4.75D-02 DE=-4.39D-04 OVMax= 2.97D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.17D-04    CP:  1.67D+00  1.19D+00  1.15D+00  1.02D+00
 E= -465.637133801352     Delta-E=       -0.000094100096 Rises=F Damp=F
 DIIS: error= 4.49D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.637133801352     IErMin= 5 ErrMin= 4.49D-05
 ErrMax= 4.49D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.26D-06 BMatP= 1.25D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.231D-02-0.711D-01 0.575D-01 0.293D+00 0.718D+00
 Coeff:      0.231D-02-0.711D-01 0.575D-01 0.293D+00 0.718D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=5.41D-05 MaxDP=3.36D-03 DE=-9.41D-05 OVMax= 4.55D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.04D-05    CP:  1.67D+00  1.18D+00  1.16D+00  1.04D+00  1.15D+00
 E= -465.637136543492     Delta-E=       -0.000002742140 Rises=F Damp=F
 DIIS: error= 1.13D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.637136543492     IErMin= 6 ErrMin= 1.13D-05
 ErrMax= 1.13D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.22D-07 BMatP= 2.26D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.117D-02-0.118D-01-0.134D-01-0.320D-02 0.157D+00 0.871D+00
 Coeff:      0.117D-02-0.118D-01-0.134D-01-0.320D-02 0.157D+00 0.871D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=1.62D-05 MaxDP=1.82D-03 DE=-2.74D-06 OVMax= 3.08D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  9.40D-06    CP:  1.67D+00  1.18D+00  1.16D+00  1.06D+00  1.20D+00
                    CP:  1.09D+00
 E= -465.637136797085     Delta-E=       -0.000000253593 Rises=F Damp=F
 DIIS: error= 4.13D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.637136797085     IErMin= 7 ErrMin= 4.13D-06
 ErrMax= 4.13D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.75D-08 BMatP= 1.22D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.735D-04 0.476D-02-0.109D-01-0.366D-01-0.390D-01 0.307D+00
 Coeff-Com:  0.775D+00
 Coeff:      0.735D-04 0.476D-02-0.109D-01-0.366D-01-0.390D-01 0.307D+00
 Coeff:      0.775D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=6.30D-06 MaxDP=7.69D-04 DE=-2.54D-07 OVMax= 9.14D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.82D-06    CP:  1.67D+00  1.18D+00  1.16D+00  1.06D+00  1.21D+00
                    CP:  1.12D+00  1.10D+00
 E= -465.637136842370     Delta-E=       -0.000000045286 Rises=F Damp=F
 DIIS: error= 1.29D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.637136842370     IErMin= 8 ErrMin= 1.29D-06
 ErrMax= 1.29D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.96D-09 BMatP= 2.75D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.121D-03 0.251D-02-0.727D-03-0.856D-02-0.308D-01-0.312D-01
 Coeff-Com:  0.152D+00 0.917D+00
 Coeff:     -0.121D-03 0.251D-02-0.727D-03-0.856D-02-0.308D-01-0.312D-01
 Coeff:      0.152D+00 0.917D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=1.97D-06 MaxDP=1.08D-04 DE=-4.53D-08 OVMax= 5.84D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.28D-06    CP:  1.67D+00  1.18D+00  1.16D+00  1.05D+00  1.21D+00
                    CP:  1.12D+00  1.18D+00  1.28D+00
 E= -465.637136848005     Delta-E=       -0.000000005635 Rises=F Damp=F
 DIIS: error= 5.12D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.637136848005     IErMin= 9 ErrMin= 5.12D-07
 ErrMax= 5.12D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.30D-10 BMatP= 1.96D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.489D-04 0.337D-03 0.108D-02 0.111D-02-0.656D-02-0.445D-01
 Coeff-Com: -0.546D-01 0.342D+00 0.761D+00
 Coeff:     -0.489D-04 0.337D-03 0.108D-02 0.111D-02-0.656D-02-0.445D-01
 Coeff:     -0.546D-01 0.342D+00 0.761D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=1.08D-06 MaxDP=1.22D-04 DE=-5.63D-09 OVMax= 1.40D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.36D-07    CP:  1.67D+00  1.18D+00  1.16D+00  1.05D+00  1.21D+00
                    CP:  1.12D+00  1.20D+00  1.41D+00  1.11D+00
 E= -465.637136848860     Delta-E=       -0.000000000855 Rises=F Damp=F
 DIIS: error= 1.51D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -465.637136848860     IErMin=10 ErrMin= 1.51D-07
 ErrMax= 1.51D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.92D-11 BMatP= 5.30D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.939D-05-0.359D-03 0.404D-03 0.167D-02 0.414D-02-0.829D-03
 Coeff-Com: -0.444D-01-0.603D-01 0.975D-01 0.100D+01
 Coeff:      0.939D-05-0.359D-03 0.404D-03 0.167D-02 0.414D-02-0.829D-03
 Coeff:     -0.444D-01-0.603D-01 0.975D-01 0.100D+01
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=6.27D-07 MaxDP=8.67D-05 DE=-8.55D-10 OVMax= 7.62D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.96D-07    CP:  1.67D+00  1.18D+00  1.16D+00  1.05D+00  1.21D+00
                    CP:  1.12D+00  1.19D+00  1.45D+00  1.22D+00  1.41D+00
 E= -465.637136848984     Delta-E=       -0.000000000124 Rises=F Damp=F
 DIIS: error= 6.26D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -465.637136848984     IErMin=11 ErrMin= 6.26D-08
 ErrMax= 6.26D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.03D-12 BMatP= 3.92D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.586D-05-0.934D-04-0.190D-04 0.167D-03 0.130D-02 0.417D-02
 Coeff-Com: -0.661D-02-0.331D-01-0.631D-01 0.194D+00 0.903D+00
 Coeff:      0.586D-05-0.934D-04-0.190D-04 0.167D-03 0.130D-02 0.417D-02
 Coeff:     -0.661D-02-0.331D-01-0.631D-01 0.194D+00 0.903D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=1.21D-07 MaxDP=1.34D-05 DE=-1.24D-10 OVMax= 1.63D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  7.07D-08    CP:  1.67D+00  1.18D+00  1.16D+00  1.05D+00  1.21D+00
                    CP:  1.11D+00  1.19D+00  1.46D+00  1.24D+00  1.52D+00
                    CP:  1.21D+00
 E= -465.637136848991     Delta-E=       -0.000000000007 Rises=F Damp=F
 DIIS: error= 1.43D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -465.637136848991     IErMin=12 ErrMin= 1.43D-08
 ErrMax= 1.43D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.41D-13 BMatP= 5.03D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.249D-06 0.310D-04-0.543D-04-0.193D-03-0.279D-03 0.108D-02
 Coeff-Com:  0.360D-02 0.400D-02-0.269D-01-0.871D-01 0.160D+00 0.946D+00
 Coeff:     -0.249D-06 0.310D-04-0.543D-04-0.193D-03-0.279D-03 0.108D-02
 Coeff:      0.360D-02 0.400D-02-0.269D-01-0.871D-01 0.160D+00 0.946D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=4.54D-08 MaxDP=5.81D-06 DE=-6.82D-12 OVMax= 5.54D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.86D-08    CP:  1.67D+00  1.18D+00  1.16D+00  1.05D+00  1.21D+00
                    CP:  1.11D+00  1.19D+00  1.46D+00  1.24D+00  1.55D+00
                    CP:  1.34D+00  1.29D+00
 E= -465.637136848946     Delta-E=        0.000000000045 Rises=F Damp=F
 DIIS: error= 6.50D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -465.637136848991     IErMin=13 ErrMin= 6.50D-09
 ErrMax= 6.50D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.50D-14 BMatP= 4.41D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.547D-06 0.157D-04-0.120D-04-0.666D-04-0.170D-03-0.307D-04
 Coeff-Com:  0.137D-02 0.390D-02-0.269D-02-0.372D-01-0.351D-01 0.246D+00
 Coeff-Com:  0.824D+00
 Coeff:     -0.547D-06 0.157D-04-0.120D-04-0.666D-04-0.170D-03-0.307D-04
 Coeff:      0.137D-02 0.390D-02-0.269D-02-0.372D-01-0.351D-01 0.246D+00
 Coeff:      0.824D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=1.17D-08 MaxDP=1.69D-06 DE= 4.46D-11 OVMax= 1.20D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  4.74D-09    CP:  1.67D+00  1.18D+00  1.16D+00  1.05D+00  1.21D+00
                    CP:  1.11D+00  1.19D+00  1.46D+00  1.24D+00  1.55D+00
                    CP:  1.36D+00  1.38D+00  1.14D+00
 E= -465.637136848944     Delta-E=        0.000000000002 Rises=F Damp=F
 DIIS: error= 1.78D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=12 EnMin= -465.637136848991     IErMin=14 ErrMin= 1.78D-09
 ErrMax= 1.78D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.22D-15 BMatP= 4.50D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.737D-07-0.161D-06 0.318D-05 0.490D-05-0.182D-05-0.112D-03
 Coeff-Com: -0.127D-03 0.356D-03 0.207D-02 0.257D-02-0.247D-01-0.527D-01
 Coeff-Com:  0.157D+00 0.915D+00
 Coeff:     -0.737D-07-0.161D-06 0.318D-05 0.490D-05-0.182D-05-0.112D-03
 Coeff:     -0.127D-03 0.356D-03 0.207D-02 0.257D-02-0.247D-01-0.527D-01
 Coeff:      0.157D+00 0.915D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=3.98D-09 MaxDP=5.51D-07 DE= 2.27D-12 OVMax= 5.02D-08

 SCF Done:  E(RM11) =  -465.637136849     A.U. after   14 cycles
            NFock= 14  Conv=0.40D-08     -V/T= 2.0067
 KE= 4.625417137947D+02 PE=-2.310287480595D+03 EE= 7.673330044735D+02
 Leave Link  502 at Thu Aug 12 21:26:45 2021, MaxMem=  5368709120 cpu:            6311.6 elap:             789.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   397
 NBasis=   397 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    397 NOA=    42 NOB=    42 NVA=   355 NVB=   355

 **** Warning!!: The largest alpha MO coefficient is  0.88615436D+02

 Leave Link  801 at Thu Aug 12 21:26:46 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8355 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.49D-13 8.33D-09 XBig12= 1.00D+00 3.70D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.49D-13 8.33D-09 XBig12= 1.33D-01 4.47D-02.
     11 vectors produced by pass  2 Test12= 2.49D-13 8.33D-09 XBig12= 1.99D-02 5.02D-02.
     11 vectors produced by pass  3 Test12= 2.49D-13 8.33D-09 XBig12= 3.07D-03 1.26D-02.
     11 vectors produced by pass  4 Test12= 2.49D-13 8.33D-09 XBig12= 2.53D-04 2.47D-03.
     11 vectors produced by pass  5 Test12= 2.49D-13 8.33D-09 XBig12= 1.43D-05 5.38D-04.
     11 vectors produced by pass  6 Test12= 2.49D-13 8.33D-09 XBig12= 8.18D-07 1.15D-04.
     11 vectors produced by pass  7 Test12= 2.49D-13 8.33D-09 XBig12= 3.16D-08 2.93D-05.
     11 vectors produced by pass  8 Test12= 2.49D-13 8.33D-09 XBig12= 9.11D-10 4.74D-06.
     11 vectors produced by pass  9 Test12= 2.49D-13 8.33D-09 XBig12= 1.98D-11 4.68D-07.
      8 vectors produced by pass 10 Test12= 2.49D-13 8.33D-09 XBig12= 4.50D-13 6.16D-08.
      2 vectors produced by pass 11 Test12= 2.49D-13 8.33D-09 XBig12= 1.40D-14 9.80D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   120 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.166027D+03
      2 -0.598265D+01  0.120726D+03
      3  0.714589D+01 -0.414087D+01  0.104904D+03
 Isotropic polarizability for W=    0.085645      130.55 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.414333D+02 -0.174590D+02  0.421428D+02
      2  -0.783164D+01  0.199006D+02 -0.143857D+02
      3  -0.336017D+02 -0.244162D+01 -0.277571D+02
      4   0.686493D+01 -0.402532D+02 -0.388366D+02
      5   0.338106D+02 -0.387414D+02 -0.814934D+02
      6  -0.162552D+02  0.867506D+00  0.238025D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.406920D+01 -0.395848D+01 -0.902731D+01
      2   0.443712D+02 -0.166334D+02 -0.316558D+02
      3  -0.312890D+00  0.226174D+02  0.136007D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.952478D-01  0.152532D+02 -0.262441D+02
      2   0.833218D+01 -0.225814D+02 -0.478917D+02
      3   0.243239D+02  0.324216D+02  0.224862D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.149253D+01 -0.715500D+01  0.209502D+01
      2  -0.715500D+01  0.318958D+01  0.325804D+00
      3   0.209502D+01  0.325804D+00 -0.660537D+00
 OR G Eigenvalues:    -7.2272    -0.2178     8.4815  Iso=    -0.3455
 Eigenvectors:
   (1)   0.787574   0.549675  -0.278539
   (2)   0.162727   0.250449   0.954356
   (3)  -0.594346   0.796952  -0.107800
 w=    0.085645 a.u., Optical Rotation Beta=     -0.3455 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =     -107.64 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   79003 ScalPx= 2.76D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 7.73D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.14D-14 2.78D-09 XBig12= 1.00D+00 3.95D-01.
     30 vectors produced by pass  1 Test12= 4.14D-14 2.78D-09 XBig12= 1.97D-02 3.42D-02.
     30 vectors produced by pass  2 Test12= 4.14D-14 2.78D-09 XBig12= 2.50D-03 7.44D-03.
     30 vectors produced by pass  3 Test12= 4.14D-14 2.78D-09 XBig12= 4.36D-05 7.63D-04.
     30 vectors produced by pass  4 Test12= 4.14D-14 2.78D-09 XBig12= 9.61D-07 1.25D-04.
     30 vectors produced by pass  5 Test12= 4.14D-14 2.78D-09 XBig12= 1.38D-08 1.51D-05.
     30 vectors produced by pass  6 Test12= 4.14D-14 2.78D-09 XBig12= 1.92D-10 1.43D-06.
     30 vectors produced by pass  7 Test12= 4.14D-14 2.78D-09 XBig12= 1.85D-12 1.75D-07.
     20 vectors produced by pass  8 Test12= 4.14D-14 2.78D-09 XBig12= 1.75D-14 9.91D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   260 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 9.90D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 9.90D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 9.67D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.166027D+03 -0.598265D+01  0.714589D+01
      2  -0.598265D+01  0.120726D+03 -0.414087D+01
      3   0.714589D+01 -0.414087D+01  0.104904D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.406920D+01 -0.395848D+01 -0.902731D+01
      2   0.443712D+02 -0.166334D+02 -0.316558D+02
      3  -0.312890D+00  0.226174D+02  0.136007D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.414333D+02 -0.174590D+02  0.421428D+02
      2  -0.783164D+01  0.199006D+02 -0.143857D+02
      3  -0.336017D+02 -0.244162D+01 -0.277571D+02
      4   0.686493D+01 -0.402532D+02 -0.388366D+02
      5   0.338106D+02 -0.387414D+02 -0.814934D+02
      6  -0.162552D+02  0.867506D+00  0.238025D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.149056D+01 -0.461124D+00 -0.486983D+01  0.777298D+00  0.639110D+00
      2  -0.461124D+00  0.571041D+00  0.267022D+01  0.639110D+00 -0.327781D+01
      3  -0.486983D+01  0.267022D+01  0.176420D+01  0.257675D+01  0.330613D+01
                 6             7             8             9            10 
      1   0.257675D+01 -0.578977D+01  0.283320D+01  0.186982D+01 -0.151789D+02
      2   0.330613D+01  0.283320D+01  0.364794D+01 -0.193460D+01  0.262161D+01
      3  -0.873662D+00  0.186982D+01 -0.193460D+01 -0.234362D+01  0.542019D+01
                11            12            13            14            15 
      1   0.262161D+01  0.542019D+01  0.888000D+01 -0.301486D+01 -0.280518D+01
      2  -0.216815D+01 -0.245546D+01 -0.301486D+01  0.441460D+01 -0.364382D+01
      3  -0.245546D+01 -0.122830D+01 -0.280518D+01 -0.364382D+01  0.198315D+01
                16            17            18            19            20 
      1   0.185303D+02 -0.401584D+01 -0.338092D+01  0.328846D+02 -0.466281D+01
      2  -0.401584D+01 -0.294139D+01  0.198781D+01 -0.466281D+01  0.297426D+01
      3  -0.338092D+01  0.198781D+01  0.712955D+00 -0.851386D+00  0.862303D+00
                21            22            23            24            25 
      1  -0.851386D+00 -0.113510D+02  0.391744D+01  0.159513D+01 -0.630332D+01
      2   0.862303D+00  0.391744D+01  0.171502D+01 -0.189834D+01  0.213907D+01
      3   0.244305D+01  0.159513D+01 -0.189834D+01 -0.263273D+01  0.583275D+01
                26            27            28            29            30 
      1   0.213907D+01  0.583275D+01 -0.487375D+02  0.597386D+01 -0.462585D+01
      2  -0.263089D+01 -0.270081D+01  0.597386D+01 -0.241340D+01 -0.104347D-01
      3  -0.270081D+01  0.531068D+01 -0.462585D+01 -0.104347D-01 -0.263156D+01
                31            32            33            34            35 
      1   0.146100D+02 -0.547335D+01  0.129863D+01 -0.149946D+02  0.363216D+00
      2  -0.547335D+01 -0.171796D+01  0.140016D+01  0.363216D+00  0.142384D+01
      3   0.129863D+01  0.140016D+01  0.134482D+01 -0.664265D+01  0.612759D+00
                36            37            38            39            40 
      1  -0.664265D+01  0.485274D+02 -0.757012D+01  0.759415D+01 -0.104190D+02
      2   0.612759D+00 -0.757012D+01  0.126792D+01 -0.407411D+00  0.417865D+01
      3  -0.525702D+01  0.759415D+01 -0.407411D+00  0.306702D+01 -0.416692D+00
                41            42            43            44            45 
      1   0.417865D+01 -0.416692D+00  0.158274D+02 -0.141092D+01  0.597679D+01
      2   0.201100D+01 -0.212433D+01 -0.141092D+01 -0.210197D+01 -0.832485D+00
      3  -0.212433D+01 -0.163548D+01  0.597679D+01 -0.832485D+00  0.305395D+01
                46            47            48            49            50 
      1  -0.341860D+02  0.719118D+01 -0.809989D+01  0.530300D+01 -0.375550D+01
      2   0.719118D+01 -0.105055D+01  0.219422D+01 -0.375550D+01 -0.217577D+01
      3  -0.809989D+01  0.219422D+01 -0.126444D+01  0.290071D+01  0.241084D+00
                51            52            53            54            55 
      1   0.290071D+01 -0.108154D+02  0.348727D+01 -0.295492D+01  0.275658D+02
      2   0.241084D+00  0.348727D+01  0.763246D+00  0.852579D+00 -0.647254D+01
      3   0.865776D+00 -0.295492D+01  0.852579D+00 -0.114639D+01  0.600059D+01
                56            57            58            59            60 
      1  -0.647254D+01  0.600059D+01 -0.180827D+02  0.679499D+01 -0.412098D+01
      2   0.246933D+01 -0.146908D+01  0.679499D+01 -0.496639D+01  0.214823D+01
      3  -0.146908D+01  0.214585D+01 -0.412098D+01  0.214823D+01 -0.185405D+01
                61            62            63            64            65 
      1   0.121769D+02 -0.234719D+01  0.653472D+01  0.247197D+01 -0.325493D+00
      2  -0.234719D+01  0.978021D+00 -0.270299D+01 -0.325493D+00  0.128533D+01
      3   0.653472D+01 -0.270299D+01  0.446353D+01 -0.454132D+01  0.272039D+01
                66            67            68            69            70 
      1  -0.454132D+01  0.146837D+00  0.242627D+01  0.260693D+01 -0.753945D+01
      2   0.272039D+01  0.242627D+01 -0.128579D+01  0.475363D+01  0.265745D+01
      3   0.857368D+00  0.260693D+01  0.475363D+01 -0.103966D+01  0.289335D+01
                71            72            73            74            75 
      1   0.265745D+01  0.289335D+01  0.599595D+01  0.232070D+01 -0.366698D+01
      2   0.434916D+01 -0.158093D+01  0.232070D+01  0.566533D+00 -0.174058D+01
      3  -0.158093D+01  0.112789D+01 -0.366698D+01 -0.174058D+01 -0.219761D+01
                76            77            78            79            80 
      1   0.333259D+01  0.966149D-01 -0.219311D+01 -0.407175D+01 -0.115330D+01
      2   0.966149D-01 -0.513288D+01  0.321167D+01 -0.115330D+01  0.298173D+01
      3  -0.219311D+01  0.321167D+01  0.912605D+00 -0.224074D+01  0.133642D+01
                81            82            83            84            85 
      1  -0.224074D+01  0.238239D+00  0.165751D+01  0.104826D+01  0.738475D+00
      2   0.133642D+01  0.165751D+01 -0.246938D+01  0.275833D+01 -0.263266D+01
      3  -0.151561D+01  0.104826D+01  0.275833D+01  0.281165D+01  0.230891D+01
                86            87            88            89            90 
      1  -0.263266D+01  0.230891D+01  0.247866D+00  0.378669D+01  0.280904D+01
      2   0.343062D+00  0.158943D+01  0.378669D+01  0.152215D+01 -0.721385D+00
      3   0.158943D+01 -0.631434D+00  0.280904D+01 -0.721385D+00 -0.139721D+01
                91            92            93            94            95 
      1  -0.827226D+01 -0.202899D+01 -0.223119D+01  0.602990D+00  0.392390D+01
      2  -0.202899D+01  0.333208D+01 -0.132893D+00  0.392390D+01  0.960044D+00
      3  -0.223119D+01 -0.132893D+00  0.157142D+01 -0.303318D+00 -0.176720D+01
                96            97            98            99           100 
      1  -0.303318D+00 -0.348883D+01 -0.527371D+00  0.523402D+00 -0.870900D+01
      2  -0.176720D+01 -0.527371D+00 -0.190471D+01 -0.203630D+01 -0.296041D+01
      3  -0.137653D+01  0.523402D+00 -0.203630D+01  0.458147D+01  0.361647D+01
               101           102           103           104           105 
      1  -0.296041D+01  0.361647D+01 -0.175358D+01 -0.200063D+01  0.104664D+01
      2  -0.246564D+01  0.135084D+01 -0.200063D+01 -0.150775D+01  0.818202D+00
      3   0.135084D+01 -0.224355D+01  0.104664D+01  0.818202D+00 -0.858475D+00
               106           107           108           109           110 
      1   0.156039D+01  0.995169D+00 -0.176076D+01  0.155408D+01 -0.427146D+00
      2   0.995169D+00  0.520775D+00 -0.108492D+01 -0.427146D+00  0.964335D+00
      3  -0.176076D+01 -0.108492D+01  0.208458D+01  0.168489D+01 -0.165837D+00
               111           112           113           114           115 
      1   0.168489D+01  0.218254D+00  0.230503D+00  0.112899D+00  0.963394D+00
      2  -0.165837D+00  0.230503D+00 -0.111934D-01  0.628262D+00 -0.698580D-01
      3   0.309143D+01  0.112899D+00  0.628262D+00 -0.305368D+00  0.144271D+01
               116           117           118           119           120 
      1  -0.698580D-01  0.144271D+01 -0.427923D+01  0.100119D+01 -0.177917D+01
      2   0.115481D+01 -0.101987D+01  0.100119D+01 -0.576542D+00  0.242037D+00
      3  -0.101987D+01  0.649804D+01 -0.177917D+01  0.242037D+00 -0.193950D+01
               121           122           123           124           125 
      1   0.472303D+01 -0.966609D+00  0.414171D+00 -0.284264D+01 -0.194792D-01
      2  -0.966609D+00  0.469010D+00 -0.122383D+01 -0.194792D-01 -0.939413D+00
      3   0.414171D+00 -0.122383D+01  0.154417D+01 -0.325471D+01  0.123411D+01
               126           127           128           129           130 
      1  -0.325471D+01  0.309505D+01 -0.189806D+01 -0.381128D+00 -0.122269D+01
      2   0.123411D+01 -0.189806D+01  0.352953D+01 -0.116872D+00  0.207330D+01
      3  -0.929555D+01 -0.381128D+00 -0.116872D+00  0.394329D+00 -0.157086D+00
               131           132           133           134           135 
      1   0.207330D+01 -0.157086D+00  0.445814D+00 -0.508317D+00  0.498696D-01
      2  -0.576669D+01 -0.219573D+00 -0.508317D+00  0.780528D+00 -0.873304D+00
      3  -0.219573D+00 -0.684344D+00  0.498696D-01 -0.873304D+00  0.278656D+00
               136           137           138           139           140 
      1  -0.383270D+01 -0.252956D+01 -0.179195D+01 -0.158829D+01 -0.184469D+01
      2  -0.252956D+01 -0.246961D+01 -0.167295D+01 -0.184469D+01 -0.357593D+01
      3  -0.179195D+01 -0.167295D+01 -0.220525D+01 -0.117053D+01 -0.199313D+01
               141           142           143           144           145 
      1  -0.117053D+01 -0.218564D+01 -0.186433D+01 -0.197427D+01  0.603435D+00
      2  -0.199313D+01 -0.186433D+01 -0.267499D+01 -0.215569D+01  0.111636D+01
      3  -0.148734D+01 -0.197427D+01 -0.215569D+01 -0.293430D+01  0.341236D-01
               146           147           148           149           150 
      1   0.111636D+01  0.341236D-01  0.850348D+00  0.300422D+00 -0.292548D+00
      2   0.660726D+00 -0.418420D+00  0.300422D+00  0.798618D+01 -0.165911D+01
      3  -0.418420D+00 -0.255702D-01 -0.292548D+00 -0.165911D+01  0.155565D+01
               151           152           153           154           155 
      1  -0.340908D+00 -0.321375D+00 -0.987282D-02  0.592984D+01 -0.272459D+00
      2  -0.321375D+00 -0.382547D+01  0.172429D+01 -0.272459D+00  0.142611D+01
      3  -0.987282D-02  0.172429D+01 -0.145122D+01  0.197931D+01  0.335404D+00
               156           157           158           159           160 
      1   0.197931D+01 -0.126646D+01  0.866648D+00 -0.155447D+00  0.161282D+01
      2   0.335404D+00  0.866648D+00 -0.149627D+00 -0.127861D+00  0.234900D+00
      3   0.191539D+01 -0.155447D+00 -0.127861D+00 -0.408835D+00  0.159137D+01
               161           162           163           164           165 
      1   0.234900D+00  0.159137D+01 -0.430527D+01  0.193854D+01  0.326619D+01
      2   0.150327D+00  0.431594D+00  0.193854D+01 -0.224882D+01 -0.186367D+01
      3   0.431594D+00  0.241514D+01  0.326619D+01 -0.186367D+01 -0.328025D+01
               166           167           168           169           170 
      1   0.621389D+00 -0.131301D+01 -0.977281D+00  0.290297D+01 -0.159460D+01
      2  -0.131301D+01  0.197128D+01  0.115543D+01 -0.159460D+01  0.170951D+01
      3  -0.977281D+00  0.115543D+01  0.114298D+01 -0.306395D+01  0.252066D+01
               171           172           173           174           175 
      1  -0.306395D+01 -0.766982D+01  0.199215D+01  0.248998D+01  0.187358D+01
      2   0.252066D+01  0.199215D+01 -0.134845D+01 -0.807860D+00 -0.195185D+01
      3   0.520779D+01  0.248998D+01 -0.807860D+00 -0.173619D+01 -0.731265D+00
               176           177           178           179           180 
      1  -0.195185D+01 -0.731265D+00  0.624463D+01 -0.168328D+01 -0.269094D+01
      2   0.132166D+01  0.214340D+00 -0.168328D+01  0.943091D+00  0.959807D+00
      3   0.214340D+00  0.644179D+00 -0.269094D+01  0.959807D+00  0.244684D+01
               181           182           183           184           185 
      1  -0.267389D+01 -0.141309D+01 -0.106913D+01 -0.310290D+01 -0.175957D+01
      2  -0.141309D+01 -0.115921D+01 -0.993757D+00 -0.175957D+01 -0.321257D+01
      3  -0.106913D+01 -0.993757D+00 -0.124625D+01 -0.178193D+01 -0.214184D+01
               186           187           188           189           190 
      1  -0.178193D+01 -0.149380D+01 -0.109860D+01 -0.210595D+01 -0.288020D+00
      2  -0.214184D+01 -0.109860D+01 -0.198858D+01 -0.132532D+01  0.751775D+00
      3  -0.202661D+01 -0.210595D+01 -0.132532D+01 -0.291856D+01 -0.219880D+00
               191           192           193           194           195 
      1   0.751775D+00 -0.219880D+00  0.178761D+01 -0.160056D+01  0.679023D+00
      2   0.306814D+00 -0.397481D+00 -0.160056D+01  0.539120D+01 -0.327117D+01
      3  -0.397481D+00  0.255622D+00  0.679023D+00 -0.327117D+01  0.275463D+01
               196           197           198           199           200 
      1  -0.723586D+00  0.624824D+00 -0.131778D+01 -0.466695D+00  0.133783D+01
      2   0.624824D+00 -0.328407D+01  0.279833D+01  0.133783D+01  0.871277D+00
      3  -0.131778D+01  0.279833D+01 -0.366532D+01 -0.736800D+00 -0.311867D+00
               201           202           203           204           205 
      1  -0.736800D+00  0.136532D+01  0.117245D+01 -0.204411D+00 -0.193450D+01
      2  -0.311867D+00  0.117245D+01  0.540899D+01 -0.185352D+01  0.140500D+00
      3  -0.660044D-01 -0.204411D+00 -0.185352D+01  0.139088D+01  0.748150D+00
               206           207           208           209           210 
      1   0.140500D+00  0.748150D+00  0.330685D+00 -0.111193D+01  0.508977D+00
      2  -0.166728D+01  0.108725D+01 -0.111193D+01 -0.201116D+00  0.212968D-01
      3   0.108725D+01 -0.719511D+00  0.508977D+00  0.212968D-01  0.126331D+00
               211           212           213           214           215 
      1  -0.194761D+01 -0.654426D+00 -0.530880D-01  0.804732D+00 -0.152261D+00
      2  -0.654426D+00 -0.610312D+01  0.151426D+01 -0.152261D+00  0.192118D+01
      3  -0.530880D-01  0.151426D+01 -0.121218D+01 -0.289535D+00 -0.100120D+01
               216           217           218           219           220 
      1  -0.289535D+00  0.130182D+01  0.323630D+00 -0.552866D+00  0.961243D+00
      2  -0.100120D+01  0.323630D+00 -0.827630D+00  0.133364D+00 -0.435774D-01
      3   0.685080D+00 -0.552866D+00  0.133364D+00 -0.499052D+00  0.338219D-01
               221           222           223           224           225 
      1  -0.435774D-01  0.338219D-01 -0.191512D+01 -0.882394D+00  0.769336D+00
      2   0.106176D+01 -0.954349D+00 -0.882394D+00 -0.203493D+01  0.204962D+01
      3  -0.954349D+00  0.104520D+01  0.769336D+00  0.204962D+01 -0.745169D+01
               226           227           228           229           230 
      1   0.103624D+02  0.293014D+01  0.675595D+00  0.152804D+01  0.119592D+01
      2   0.293014D+01  0.182881D+01  0.171589D+00  0.119592D+01  0.833476D+00
      3   0.675595D+00  0.171589D+00  0.117859D+01  0.190189D+00  0.399248D+00
               231           232           233           234           235 
      1   0.190189D+00  0.162693D+01  0.563466D+00  0.118047D+01 -0.771416D+00
      2   0.399248D+00  0.563466D+00  0.744949D+00  0.602395D+00  0.977260D+00
      3   0.296544D+00  0.118047D+01  0.602395D+00  0.109303D+00  0.109865D+01
               236           237           238           239           240 
      1   0.977260D+00  0.109865D+01  0.241423D+01 -0.804925D+00 -0.400942D+00
      2  -0.265559D+01 -0.495437D+00 -0.804925D+00  0.499617D+01  0.149798D+01
      3  -0.495437D+00 -0.105874D+01 -0.400942D+00  0.149798D+01  0.154613D+01
               241           242           243 
      1   0.149515D+01 -0.176628D+00 -0.534776D+00
      2  -0.176628D+00  0.240244D+01  0.177221D+01
      3  -0.534776D+00  0.177221D+01  0.112011D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.106619D+02 -0.534691D+01  0.310040D+00 -0.306497D+01 -0.131996D+02
      2   0.139156D+02 -0.278028D+01  0.567688D+01 -0.548924D+01 -0.508577D+01
      3  -0.640757D+01 -0.384536D+01 -0.600964D+01  0.449708D+01 -0.431396D+01
                 6             7             8             9            10 
      1   0.461897D+01 -0.780872D+00  0.126659D+02  0.315976D+01 -0.107296D+02
      2  -0.188039D+01  0.201257D+00 -0.980003D+00  0.200714D+01 -0.304796D+02
      3   0.106188D+02 -0.519270D+01  0.123853D+02 -0.331006D-01  0.422828D+01
                11            12            13            14            15 
      1   0.375631D+01  0.219572D+01  0.403948D+01  0.626120D+01 -0.871214D+01
      2   0.877581D+01  0.643197D+01  0.176336D+02  0.731852D+01 -0.518902D+01
      3  -0.804654D+01 -0.368089D+01  0.167058D+01  0.763425D+01 -0.126464D+02
                16            17            18            19            20 
      1   0.946243D+01 -0.610926D-01  0.802382D-01  0.117625D+02 -0.481424D+01
      2   0.146107D+02 -0.495852D+01 -0.442409D+01  0.342425D+02 -0.595588D+01
      3  -0.320761D+01 -0.138015D+02  0.304075D+01 -0.414510D+01 -0.123098D+01
                21            22            23            24            25 
      1  -0.240985D+01 -0.926330D+01 -0.584930D+01  0.290361D+00 -0.111482D+02
      2   0.810825D+00 -0.157472D+02  0.572878D+01  0.422704D+01 -0.190290D+02
      3   0.123075D+01  0.106514D+02 -0.344547D+00 -0.204122D+01 -0.969209D+00
                26            27            28            29            30 
      1   0.814320D+01  0.281356D+01 -0.125814D+02  0.151352D+01  0.397002D+00
      2   0.509628D+01  0.440928D+01 -0.344892D+02  0.248677D+01 -0.836160D+01
      3   0.533789D-01 -0.257053D+01  0.442207D+01  0.334208D+01  0.303503D+01
                31            32            33            34            35 
      1   0.365343D+01  0.376127D+01 -0.250396D+01  0.373136D+01  0.215027D+01
      2   0.789329D+01 -0.316251D+01  0.202262D+01 -0.435150D+02  0.335473D+01
      3   0.184619D+02 -0.173501D+01  0.124441D+01  0.909484D+01  0.691127D+00
                36            37            38            39            40 
      1  -0.826769D+00  0.105723D+02 -0.142696D+01 -0.183609D+01 -0.868993D+01
      2  -0.119239D+02  0.405097D+02 -0.437531D+01  0.142686D+02 -0.536552D+01
      3   0.131167D+01  0.340897D+01 -0.633911D+01 -0.189235D+01  0.727832D+01
                41            42            43            44            45 
      1   0.469891D-02 -0.237121D+01 -0.415200D+01  0.962857D+00 -0.408808D+00
      2  -0.115396D+01  0.122367D+01  0.153412D+02  0.392215D+00  0.830796D+01
      3  -0.106725D+02  0.572207D+01 -0.629472D+01  0.392218D+01 -0.143535D+01
                46            47            48            49            50 
      1  -0.988356D+01 -0.108412D+01  0.888558D+01 -0.901757D+00  0.879805D+01
      2  -0.229994D+02  0.439937D+01 -0.179381D+02  0.199313D+01 -0.137119D+01
      3  -0.101472D+02  0.671816D+01  0.360626D+01  0.201311D+02  0.768583D+01
                51            52            53            54            55 
      1   0.317510D+01  0.553814D+01  0.149595D+02 -0.445564D+01  0.487998D+01
      2   0.261470D+01 -0.282045D+02 -0.206031D+01 -0.902508D+01  0.180294D+02
      3   0.180059D+01  0.479161D+00  0.497989D+01 -0.139878D+01  0.564288D+01
                56            57            58            59            60 
      1   0.142722D+01 -0.216734D+01 -0.200322D+01 -0.306039D+01 -0.434178D+01
      2  -0.419992D+01  0.180125D+02 -0.114492D+02  0.676481D+01 -0.113607D+02
      3  -0.150614D+02  0.229672D-04 -0.837877D+01  0.153920D+02 -0.407234D+01
                61            62            63            64            65 
      1   0.132430D+01 -0.689774D+00  0.246334D+01  0.380879D+01 -0.360086D+01
      2   0.164830D+02 -0.520236D+01  0.163201D+02  0.173734D+02 -0.101866D+02
      3   0.255509D+00 -0.793713D+01  0.460580D+01  0.255334D+01  0.291538D+01
                66            67            68            69            70 
      1  -0.383417D+01 -0.535500D+01 -0.366588D+01 -0.457002D+01 -0.638482D+01
      2  -0.617476D+01 -0.956579D+01 -0.166071D+02  0.601987D+01 -0.200374D+02
      3   0.673134D+01  0.138345D+02 -0.323026D+01  0.217794D+02  0.614878D+01
                71            72            73            74            75 
      1   0.619247D+00 -0.540123D+00 -0.179400D+00 -0.344994D+01 -0.805802D+01
      2   0.864323D+01 -0.357412D+01  0.413245D+01 -0.187375D+01  0.141032D+02
      3   0.204797D+02 -0.346011D+01  0.366429D+00 -0.532923D+01  0.648776D-01
                76            77            78            79            80 
      1   0.817922D-01 -0.347597D+01  0.596932D+01 -0.602157D+01  0.112699D+02
      2   0.265225D+01 -0.748486D+01  0.111837D+01  0.374952D+01 -0.728453D+00
      3   0.254237D+00 -0.131507D+02  0.119201D+02 -0.219263D+00  0.113995D+02
                81            82            83            84            85 
      1   0.145188D+01  0.736875D+00  0.107606D+02  0.808786D+01  0.136464D+02
      2   0.797442D+01 -0.327472D+00 -0.195153D+01 -0.601632D+00 -0.290586D+01
      3   0.860362D+01  0.280931D+01 -0.140591D+02  0.211010D+01 -0.456670D+01
                86            87            88            89            90 
      1   0.474045D+01 -0.755015D+01  0.576744D+01 -0.169885D+01 -0.425078D+01
      2  -0.349841D+01  0.211200D+01 -0.720791D+01  0.284601D+01  0.260429D+01
      3   0.733202D+01 -0.392763D+01  0.355936D+01 -0.780618D+01 -0.100621D+02
                91            92            93            94            95 
      1   0.390471D+01 -0.320015D+01 -0.540041D+01  0.339340D+00  0.333401D+01
      2  -0.109287D+02 -0.849213D+00  0.796431D+01 -0.334116D+00 -0.460400D+01
      3  -0.122863D+01 -0.201259D+02 -0.352150D+01 -0.112353D+02  0.159669D+01
                96            97            98            99           100 
      1  -0.171255D+01  0.261104D+01  0.994185D+01 -0.844284D+01  0.125101D+01
      2  -0.297298D+01 -0.262298D+01 -0.805375D+01  0.167838D+02  0.197044D+01
      3   0.624660D+01 -0.177613D+01  0.875604D+01  0.100542D+02  0.442454D+01
               101           102           103           104           105 
      1  -0.264898D+01 -0.210098D+01 -0.485552D+00 -0.840192D+00 -0.188207D+01
      2  -0.362152D+00  0.392775D+01  0.115378D+01 -0.701789D-01  0.126118D+01
      3  -0.538687D+01 -0.102656D+01 -0.259261D+00 -0.180195D+01 -0.979838D-01
               106           107           108           109           110 
      1  -0.955884D+00  0.486173D+00  0.161003D+01  0.138058D+01  0.260764D+01
      2  -0.136395D+01  0.124811D+01 -0.386581D+01 -0.731562D+01  0.112191D+01
      3  -0.110080D+01  0.766239D+00 -0.516449D+00 -0.364963D+01  0.137712D+01
               111           112           113           114           115 
      1   0.409009D+01  0.929772D+00  0.147419D+01 -0.681547D+00  0.205600D+01
      2  -0.873572D+01  0.523952D+00 -0.209024D+01  0.289886D+00 -0.864520D+01
      3  -0.301880D+01  0.185716D+01 -0.157824D+00  0.998015D+00 -0.271662D+01
               116           117           118           119           120 
      1   0.258924D+01  0.689057D+01 -0.153157D+01  0.125069D+01 -0.532120D+00
      2   0.214358D+01 -0.165210D+02 -0.415412D+01  0.114065D+01  0.996818D+00
      3   0.169878D+01 -0.479838D+01  0.835201D+00 -0.184191D+01  0.719876D+00
               121           122           123           124           125 
      1   0.242851D+01 -0.750632D+00  0.936917D+00  0.191798D+01  0.485646D+01
      2   0.556128D+01 -0.257226D+00 -0.842393D+00 -0.350309D+01 -0.860430D+00
      3   0.108439D+01  0.313423D-01 -0.107879D+01  0.474160D+00 -0.102600D+01
               126           127           128           129           130 
      1  -0.297314D+01  0.812567D+00 -0.253836D+01  0.229893D+01 -0.113347D+01
      2   0.477418D+01  0.452696D+00  0.704785D-01  0.437845D+00  0.548554D+00
      3   0.135439D+01 -0.153903D+02  0.886582D+01  0.615909D+00  0.104734D+02
               131           132           133           134           135 
      1   0.228810D+01 -0.373343D+01  0.774391D+00 -0.989860D+00  0.144316D+01
      2   0.368068D+00 -0.517770D+00 -0.120565D+01  0.883031D+00 -0.467811D+00
      3  -0.134609D+02 -0.160904D+00 -0.222317D+01  0.272367D+01 -0.163564D+01
               136           137           138           139           140 
      1  -0.276972D+01 -0.209365D+01 -0.526182D+01 -0.168358D+01 -0.212475D+01
      2  -0.111747D+01  0.832631D+00  0.323326D+01  0.170228D+00  0.138179D+01
      3   0.523128D+01 -0.212366D+00  0.153576D+01  0.280440D+01 -0.292048D+01
               141           142           143           144           145 
      1  -0.334704D+01 -0.372910D+01 -0.131791D+01 -0.618686D+01  0.121894D+01
      2   0.201612D+01 -0.296092D+00  0.193368D+01  0.310424D+01 -0.886934D+00
      3  -0.247271D+00  0.282372D+01 -0.630777D+00  0.144207D+01  0.429542D+01
               146           147           148           149           150 
      1   0.183020D+01 -0.111185D+01  0.104192D+01  0.124367D+02 -0.812554D+01
      2  -0.589218D+00  0.589923D+00 -0.514332D+00  0.767014D+00 -0.122517D+01
      3   0.238943D+01 -0.934943D+00  0.537589D+01  0.139819D+02 -0.325664D+01
               151           152           153           154           155 
      1  -0.639617D+00 -0.626984D+01  0.635545D+01 -0.471511D+01  0.279163D+01
      2  -0.807233D+00 -0.144435D+01  0.167440D+01 -0.148464D+02  0.570332D+00
      3  -0.304091D+01 -0.752432D+01  0.309458D+01  0.133328D+02 -0.867656D+00
               156           157           158           159           160 
      1  -0.361136D+01  0.189968D+01 -0.753116D+00 -0.324175D+00 -0.334301D+01
      2  -0.384181D+01  0.289028D+01 -0.138857D+01  0.774592D+00 -0.694812D+01
      3   0.450547D+01  0.147868D-01  0.139152D+01 -0.590143D+00  0.390439D+01
               161           162           163           164           165 
      1   0.969897D+00 -0.358878D+01 -0.421199D+01 -0.995675D-01  0.491413D+01
      2  -0.712229D+00 -0.491669D+01 -0.138378D+00  0.168110D+01  0.354189D+01
      3  -0.785896D+00  0.397208D+01 -0.421211D+01 -0.272378D+01  0.213342D+01
               166           167           168           169           170 
      1   0.656340D+00  0.325128D+00 -0.254096D+01  0.412853D+01 -0.867070D+00
      2  -0.615437D+00 -0.494728D+00 -0.724744D+00 -0.169061D+01 -0.232548D+01
      3   0.986405D+00  0.148499D+01 -0.321486D+00  0.440171D+01  0.840950D+00
               171           172           173           174           175 
      1  -0.762139D+01 -0.359667D+01  0.923987D+00  0.273206D+01  0.159241D+01
      2  -0.624488D+01 -0.132689D+02  0.451324D+01  0.109070D+02  0.393668D+01
      3  -0.101365D+01 -0.154479D+00 -0.591891D+01 -0.109261D+01 -0.402499D+01
               176           177           178           179           180 
      1  -0.568542D+00 -0.160907D+01  0.322342D+01  0.225472D+00 -0.295036D+01
      2  -0.179760D+01 -0.364054D+01  0.113032D+02 -0.429631D+01 -0.121880D+02
      3   0.358149D+01 -0.202900D-01 -0.839466D+00  0.312338D+01  0.134108D+01
               181           182           183           184           185 
      1   0.195359D+01  0.212798D+01  0.119850D+01  0.217411D+01  0.553046D+01
      2   0.180196D+01  0.248616D+01  0.492680D+01  0.307626D+01  0.687029D+01
      3  -0.640115D+01 -0.644987D+01 -0.460177D+01 -0.613819D+01 -0.151446D+02
               186           187           188           189           190 
      1   0.160235D+01  0.212322D+01  0.436773D+01  0.226968D+01 -0.272448D+00
      2   0.714524D+01  0.440897D+01  0.431189D+01  0.935314D+01  0.127237D+01
      3  -0.926244D+01 -0.453498D+01 -0.940511D+01 -0.631511D+01  0.309815D+01
               191           192           193           194           195 
      1   0.671987D-01  0.821493D-02 -0.353576D-01 -0.178147D+01 -0.249594D+01
      2   0.176245D+01 -0.492928D-01  0.192642D-01  0.109664D+02 -0.100095D+02
      3   0.773873D+00 -0.148664D+01 -0.139455D+01  0.182051D+02 -0.113597D+02
               196           197           198           199           200 
      1   0.948131D+00  0.167114D+01  0.251967D+01 -0.362276D-01 -0.125315D+01
      2   0.210191D+01 -0.963335D+01  0.121427D+02 -0.278011D+00  0.134753D+01
      3   0.242326D+00 -0.121731D+02  0.914777D+01  0.339360D+00 -0.251373D+00
               201           202           203           204           205 
      1  -0.406019D+00 -0.256701D+01 -0.609227D+01 -0.142057D+01 -0.503901D+01
      2  -0.428430D+00  0.200656D+01  0.107723D+01  0.478079D+00 -0.350487D+01
      3   0.290964D+00  0.302429D+01 -0.236252D+01 -0.807604D-01 -0.133641D+01
               206           207           208           209           210 
      1   0.259804D+01 -0.122382D+01  0.104726D+01  0.716147D-01 -0.712916D-01
      2   0.207657D-01  0.360757D+00  0.255870D+01 -0.335238D+00  0.371517D+00
      3   0.513014D+00 -0.974310D+00  0.338466D+01  0.143226D+01 -0.478763D+00
               211           212           213           214           215 
      1  -0.677429D+00  0.652455D+00 -0.363655D+01 -0.176168D+01  0.147109D+00
      2  -0.285888D+00  0.353933D+01 -0.242546D+01 -0.413920D+01 -0.224857D+01
      3   0.699266D+01  0.130240D+02 -0.319706D+01 -0.115335D+01 -0.404764D+01
               216           217           218           219           220 
      1   0.771809D+00 -0.462220D-01 -0.377571D+00  0.135403D+01 -0.127323D+01
      2   0.858469D+00 -0.137018D+01  0.835344D+00 -0.173343D+01  0.170778D+01
      3   0.230617D+01 -0.788426D+00  0.256833D+01 -0.171227D+01  0.118454D+01
               221           222           223           224           225 
      1   0.761357D+00 -0.176253D+01 -0.166289D+01 -0.211823D+01  0.131522D+02
      2  -0.305749D+01  0.328214D+01  0.108048D+00  0.707608D+01 -0.258755D+02
      3  -0.408616D+01  0.318440D+01 -0.503933D+00  0.513108D+01 -0.701527D+01
               226           227           228           229           230 
      1  -0.245268D+01 -0.732029D+00 -0.221887D+01 -0.852182D+00 -0.840684D+00
      2   0.644132D+01  0.176407D+01  0.664151D+01  0.159871D+01  0.184149D+01
      3   0.447086D+01 -0.498303D+01  0.669191D+00  0.224600D+00 -0.113597D+01
               231           232           233           234           235 
      1  -0.141419D+01 -0.130210D+01 -0.690057D-01 -0.341729D+00 -0.984359D+00
      2   0.154410D+01  0.335993D+01  0.184850D+01  0.102044D+01  0.347225D+01
      3  -0.120799D+01  0.267233D+00 -0.238914D+01 -0.917395D+00 -0.732517D+01
               236           237           238           239           240 
      1   0.353794D+01  0.254805D+01  0.193044D+01 -0.529281D+01 -0.430432D+01
      2  -0.240121D+01 -0.253113D+01 -0.109299D+01  0.550021D+01  0.465905D+01
      3   0.119275D+02  0.427972D+01  0.819724D+01 -0.198175D+02 -0.637632D+01
               241           242           243 
      1   0.320592D+00 -0.417902D+01 -0.324230D+01
      2  -0.194813D+01  0.669986D+01  0.376261D+01
      3   0.345807D+01 -0.993751D+01 -0.812808D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.135963D+02 -0.141300D+01  0.736749D+01 -0.521044D+01  0.138942D+01
      2   0.631494D+01 -0.655546D+01 -0.206195D+01 -0.235701D+01 -0.185795D+02
      3  -0.199113D+02  0.796846D+01 -0.530553D+01  0.756745D+01  0.171900D+02
      4  -0.817523D+00 -0.287463D+01 -0.208366D+02 -0.296558D+01  0.121205D+02
      5   0.148973D+02 -0.120029D+02 -0.175101D+02 -0.106388D+02 -0.813653D+01
      6  -0.148904D+02  0.125364D+02  0.108439D+02  0.771942D+01  0.134412D+02
                 6             7             8             9            10 
      1  -0.171450D+02  0.645975D+01 -0.191292D+02 -0.120981D+01 -0.134590D+02
      2   0.227239D+02 -0.164970D+01  0.289159D+02  0.263512D+01  0.494254D+01
      3  -0.557889D+01 -0.481005D+01 -0.978664D+01 -0.142531D+01  0.851642D+01
      4  -0.287424D+01 -0.235086D+02 -0.667121D+00  0.132185D+02  0.243257D+01
      5   0.848934D+01 -0.191922D+02  0.134103D+02  0.133853D+02 -0.272909D+02
      6   0.441271D+00  0.121059D+02 -0.365932D+01 -0.776059D+01  0.842294D+01
                11            12            13            14            15 
      1   0.309399D+01 -0.201134D+02  0.736143D+01  0.103398D+02  0.144211D+02
      2  -0.448946D+00  0.579064D+01 -0.344240D+01  0.134033D+01 -0.761981D+01
      3  -0.264504D+01  0.143228D+02 -0.391902D+01 -0.116801D+02 -0.680133D+01
      4   0.724153D+01  0.132553D+02  0.868427D+01 -0.240456D+02  0.139306D+02
      5   0.104468D+02  0.438926D+01  0.114413D+02  0.190778D+02 -0.856602D+01
      6  -0.871186D+01 -0.303249D+01  0.458843D+00  0.282585D+00 -0.661210D+01
                16            17            18            19            20 
      1  -0.228637D+02  0.176243D+02 -0.950861D+00  0.253458D+02  0.394418D+01
      2   0.373239D+01 -0.158889D+02 -0.442629D+01 -0.801831D+01 -0.683293D+01
      3   0.191313D+02 -0.173540D+01  0.537715D+01 -0.173275D+02  0.288875D+01
      4   0.165848D+02  0.995104D+01 -0.825335D+01  0.113233D+00 -0.488195D+01
      5   0.136387D+02 -0.958393D+01 -0.678971D+00  0.238279D+01 -0.866680D+00
      6  -0.700072D+01 -0.996907D+00  0.181824D+01 -0.305846D+01  0.278813D+01
                21            22            23            24            25 
      1   0.605519D+01  0.595496D+01 -0.360229D+01 -0.771904D+01  0.229238D+02
      2   0.458785D+01 -0.614709D+01 -0.625772D+01 -0.352711D+00  0.614902D+01
      3  -0.106430D+02  0.192127D+00  0.986001D+01  0.807175D+01 -0.290729D+02
      4  -0.266602D+01 -0.844851D+01 -0.292136D+01  0.254392D+01 -0.100957D+02
      5  -0.477431D+01 -0.361457D+01  0.917827D-01  0.695973D+01 -0.137698D+02
      6   0.344093D+01 -0.490120D+00 -0.554200D+01  0.259858D+01  0.398292D+01
                26            27            28            29            30 
      1  -0.108700D+02  0.193081D+02 -0.100851D+03  0.100042D+02 -0.131948D+02
      2   0.572250D+01  0.102892D+02  0.399593D+02 -0.604305D+01  0.432993D+01
      3   0.514750D+01 -0.295973D+02  0.608921D+02 -0.396110D+01  0.886482D+01
      4   0.577058D+01  0.853011D+01  0.171065D+02 -0.110875D+02  0.904817D+00
      5   0.100331D+02 -0.173709D+02 -0.553653D+01 -0.109188D+01 -0.104470D+02
      6   0.382651D+00 -0.409871D+00  0.693323D+01  0.297538D+01  0.230920D+01
                31            32            33            34            35 
      1   0.388099D+02 -0.525546D+01  0.270768D+01 -0.417122D+02 -0.152020D+01
      2  -0.181798D+02  0.346715D+01  0.437512D+00  0.108023D+02  0.327160D+01
      3  -0.206301D+02  0.178832D+01 -0.314519D+01  0.309099D+02 -0.175140D+01
      4  -0.111934D+02 -0.165380D+01  0.164387D+01  0.893044D+01 -0.350685D+01
      5   0.753292D+01  0.343076D+01  0.139897D+01 -0.837220D+01 -0.183563D+01
      6   0.154274D+01  0.939518D+01 -0.137228D+01  0.737377D-01  0.367718D+01
                36            37            38            39            40 
      1  -0.292288D+02  0.147482D+03 -0.235058D+02  0.307155D+02 -0.162802D+02
      2  -0.562102D+00 -0.646713D+02  0.102300D+02 -0.109741D+02  0.323706D+01
      3   0.297909D+02 -0.828110D+02  0.132757D+02 -0.197415D+02  0.130431D+02
      4   0.245465D+01 -0.444345D+02  0.135109D+02 -0.556067D+01  0.157138D+02
      5  -0.150317D+02  0.253954D+02 -0.146114D+01  0.214612D+02  0.452496D+01
      6   0.555828D+01 -0.108407D+02 -0.132563D+01 -0.458016D+01 -0.195178D+01
                41            42            43            44            45 
      1   0.103992D+02 -0.921591D+01  0.392361D+02 -0.101987D+02  0.106529D+02
      2  -0.894297D+01  0.313565D+01 -0.174130D+02  0.830230D+01 -0.795148D+01
      3  -0.145619D+01  0.608026D+01 -0.218231D+02  0.189637D+01 -0.270143D+01
      4   0.911870D+01 -0.648979D+01 -0.680907D+01 -0.732250D+01 -0.418936D+01
      5  -0.867331D+01 -0.179945D+01  0.285754D+02 -0.469349D+01  0.778920D+01
      6   0.604728D+01  0.444167D+01 -0.934230D+01  0.537966D+01  0.126141D+00
                46            47            48            49            50 
      1  -0.128777D+03  0.364820D+02 -0.268730D+02  0.360861D+02 -0.223398D+02
      2   0.594701D+02 -0.178276D+02  0.153853D+02 -0.244057D+02  0.451374D+01
      3   0.693066D+02 -0.186544D+02  0.114877D+02 -0.116804D+02  0.178261D+02
      4   0.616734D+02 -0.287821D+02  0.169312D+02 -0.351185D+02 -0.140091D+02
      5  -0.448273D+02  0.131272D+02 -0.256946D+02  0.237856D+02  0.954480D-01
      6   0.175500D+02 -0.655902D+01  0.221781D+01  0.102925D+01  0.514337D+01
                51            52            53            54            55 
      1   0.142152D+02 -0.500337D+02  0.153342D+02 -0.181743D+02  0.142233D+03
      2  -0.120192D+02  0.245042D+02 -0.380264D+01  0.614433D+01 -0.700258D+02
      3  -0.219597D+01  0.255295D+02 -0.115315D+02  0.120300D+02 -0.722072D+02
      4   0.396318D+00  0.330095D+02 -0.110577D+01  0.733668D+01 -0.621807D+02
      5   0.214351D+01 -0.157374D+02  0.523254D+01 -0.143718D+02  0.396402D+02
      6  -0.595110D+01  0.133884D+01  0.108801D+01  0.558429D+01 -0.889480D+01
                56            57            58            59            60 
      1  -0.384529D+02  0.279894D+02 -0.765629D+02  0.281357D+02 -0.135598D+02
      2   0.149165D+02 -0.175057D+02  0.308751D+02 -0.260770D+01  0.811087D+01
      3   0.235364D+02 -0.104837D+02  0.456879D+02 -0.255280D+02  0.544896D+01
      4   0.370565D+02 -0.133052D+02  0.640455D+02 -0.444104D+02  0.167255D+02
      5  -0.114316D+02  0.302975D+02 -0.246527D+02  0.143714D+02 -0.155938D+02
      6   0.463797D+01 -0.557795D+01  0.100413D+02 -0.703698D+01  0.116980D+02
                61            62            63            64            65 
      1   0.488069D+02 -0.771079D+01  0.254492D+02 -0.118840D+02  0.175869D+01
      2  -0.289568D+02  0.527607D+01 -0.214335D+02  0.432224D+01  0.180658D+01
      3  -0.198501D+02  0.243472D+01 -0.401571D+01  0.756172D+01 -0.356527D+01
      4  -0.221907D+02  0.117792D+02 -0.210943D+02  0.125314D+01 -0.879944D+01
      5   0.502633D+02 -0.197536D+02  0.364113D+02  0.350012D+02 -0.207276D+02
      6  -0.971653D+01  0.108778D+02 -0.961789D+01 -0.108720D+02  0.283230D+01
                66            67            68            69            70 
      1   0.297084D+02 -0.340052D+01 -0.531273D+01 -0.289369D+02  0.420865D+02
      2  -0.118560D+02  0.607503D+01  0.507485D+01  0.196442D+02 -0.167805D+02
      3  -0.178524D+02 -0.267451D+01  0.237876D+00  0.929267D+01 -0.253060D+02
      4  -0.230868D+02 -0.161111D+02  0.672510D+01 -0.273367D+02 -0.247410D+02
      5  -0.780722D+01 -0.200980D+02 -0.299759D+02  0.429855D+01 -0.203594D+02
      6  -0.377534D+00 -0.138943D+01  0.106303D+02 -0.116702D+02  0.293887D+01
                71            72            73            74            75 
      1  -0.306784D+02 -0.111341D+02 -0.187743D+02 -0.138407D+02  0.223973D+02
      2   0.213699D+02  0.520105D+01  0.115778D+02  0.722308D+01  0.275740D+01
      3   0.930847D+01  0.593302D+01  0.719650D+01  0.661761D+01 -0.251547D+02
      4  -0.249473D+02  0.915935D+01 -0.238529D+02 -0.940360D+01  0.141081D+02
      5   0.792573D+01 -0.575919D+01  0.255795D+02  0.132737D+02 -0.304586D+01
      6  -0.129126D+02  0.307131D+01  0.117974D+02  0.987176D+01  0.318914D+01
                76            77            78            79            80 
      1  -0.130867D+02 -0.893726D+01  0.131489D+02  0.142866D+02  0.810822D+01
      2   0.998263D+01  0.218672D+01 -0.141863D+02  0.366766D+01 -0.717726D+01
      3   0.310407D+01  0.675054D+01  0.103744D+01 -0.179543D+02 -0.930954D+00
      4  -0.685067D+01  0.221144D+02 -0.902667D+01  0.966593D+01 -0.437785D+01
      5   0.161927D+02 -0.160073D+02 -0.623809D+01  0.111665D+01 -0.500058D+01
      6   0.178075D+01 -0.122218D+02  0.221688D+01  0.458299D+01 -0.124122D+01
                81            82            83            84            85 
      1   0.147349D+02  0.473156D+01 -0.123009D+02  0.416352D+01 -0.922447D+01
      2  -0.318451D+01 -0.793481D+01  0.187089D+02 -0.123159D+02  0.121579D+02
      3  -0.115504D+02  0.320325D+01 -0.640804D+01  0.815238D+01 -0.293338D+01
      4  -0.304657D+00 -0.530761D+01 -0.569567D+01 -0.121321D+02 -0.489709D+00
      5   0.565921D-01 -0.669914D+01 -0.128454D+02 -0.114113D+02 -0.124806D+02
      6   0.353268D+01 -0.606891D+01 -0.141383D+02 -0.137191D+02 -0.946184D+01
                86            87            88            89            90 
      1   0.477150D+01 -0.353206D+01  0.992509D+01 -0.473188D+01 -0.127304D+02
      2  -0.277865D+01 -0.307137D+00 -0.183475D+02 -0.203681D+01  0.919010D+01
      3  -0.199286D+01  0.383920D+01  0.842243D+01  0.676869D+01  0.354034D+01
      4   0.596506D+01 -0.103352D+02 -0.121182D+02 -0.161824D+02 -0.866067D+01
      5  -0.476407D+01  0.200827D+01 -0.141386D+02 -0.268707D+01  0.281336D+01
      6  -0.197004D+01 -0.187153D+01 -0.143623D+02 -0.131772D+01  0.783969D+00
                91            92            93            94            95 
      1  -0.571773D+02 -0.293023D+02 -0.144190D+02 -0.122957D+02  0.212553D+02
      2   0.233344D+02  0.239122D+02  0.113168D+02  0.145257D+02 -0.854283D+01
      3   0.338430D+02  0.539011D+01  0.310227D+01 -0.222999D+01 -0.127125D+02
      4  -0.252370D+02  0.149967D+02 -0.568015D+01  0.221895D+02  0.156137D+02
      5  -0.127732D+02 -0.243031D+01  0.121879D+02 -0.406337D+01 -0.123095D+02
      6  -0.616713D+01  0.109791D+01  0.649812D+01 -0.150002D+01 -0.105502D+02
                96            97            98            99           100 
      1   0.297814D+01 -0.227405D+02  0.298667D+00  0.194763D+02  0.491552D+02
      2  -0.797833D+01  0.118496D+02 -0.117018D+02 -0.402003D+01 -0.258051D+02
      3   0.500019D+01  0.108909D+02  0.114032D+02 -0.154563D+02 -0.233501D+02
      4  -0.100720D+02 -0.929590D+01 -0.103426D+02 -0.979825D+01  0.350306D+02
      5  -0.617883D+01  0.498877D+01 -0.118133D+02  0.300283D+02 -0.344095D+02
      6  -0.997043D+00  0.250479D+01 -0.734405D+01  0.141335D+02 -0.136749D+02
               101           102           103           104           105 
      1   0.117598D+02 -0.150184D+02  0.907335D+01  0.592985D+01 -0.265977D+01
      2  -0.267453D+01  0.102394D+02 -0.142592D+01  0.258687D+01  0.165341D+01
      3  -0.908525D+01  0.477904D+01 -0.764743D+01 -0.851672D+01  0.100636D+01
      4   0.223584D+02 -0.144260D+02  0.186718D+02  0.136648D+02 -0.780383D+01
      5  -0.123498D+02  0.211055D+02 -0.935708D+01 -0.760458D+01  0.656788D+01
      6  -0.938701D+01  0.860713D+01 -0.797097D+01 -0.527921D+01  0.612480D+01
               106           107           108           109           110 
      1  -0.102355D+02 -0.260145D+01  0.416662D+01 -0.528270D+01  0.537925D+01
      2   0.731451D+01  0.281309D+01 -0.680439D+01 -0.188423D+01 -0.353166D+01
      3   0.292096D+01 -0.211636D+00  0.263777D+01  0.716693D+01 -0.184759D+01
      4  -0.967403D+01 -0.590029D+01  0.940264D+01 -0.157723D+00 -0.107895D+01
      5   0.172946D+02  0.782051D+01 -0.145021D+02 -0.990767D+00 -0.133021D+01
      6   0.712291D+01  0.544138D+01 -0.775117D+01 -0.484386D+01  0.332001D+01
               111           112           113           114           115 
      1  -0.155333D+02  0.182225D+01 -0.469960D+01  0.842801D+00 -0.104687D+02
      2  -0.247465D+01 -0.154703D+01  0.944889D+00 -0.136054D+01  0.912565D+00
      3   0.180079D+02 -0.275216D+00  0.375471D+01  0.517743D+00  0.955612D+01
      4  -0.314454D+01  0.158380D+01 -0.144590D+01 -0.101085D+01 -0.279059D+01
      5  -0.225002D+01 -0.146051D+01  0.509099D+00  0.555760D+00  0.199626D+01
      6  -0.778438D+01  0.190779D+01 -0.201239D+01  0.718729D+01 -0.238048D+01
               116           117           118           119           120 
      1   0.463321D+01 -0.263517D+02 -0.912324D+00  0.318876D+00 -0.130838D+01
      2  -0.108861D+01 -0.927977D+01 -0.679522D+01  0.652095D+00 -0.514206D+01
      3  -0.354460D+01  0.356315D+02  0.770754D+01 -0.970972D+00  0.645044D+01
      4  -0.347570D+01  0.125330D+01 -0.768778D+00  0.406058D+01 -0.845160D+00
      5   0.323001D+01 -0.143662D+02  0.809021D+01 -0.210863D+01  0.132755D+02
      6   0.765639D+01 -0.162230D+02 -0.750684D+00  0.913066D+00 -0.175003D-01
               121           122           123           124           125 
      1   0.504751D+01 -0.528754D+01  0.381180D+01 -0.686948D+01  0.174797D+01
      2  -0.158207D+01  0.137754D+00  0.331742D+01 -0.690194D+01  0.357437D+01
      3  -0.346544D+01  0.514979D+01 -0.712922D+01  0.137714D+02 -0.532234D+01
      4   0.269605D+01 -0.117663D+01  0.336506D+01  0.569604D+00  0.273413D+01
      5  -0.261139D+01  0.407025D+01 -0.346927D+01  0.168296D+02 -0.361901D+01
      6   0.165429D+01 -0.135756D+01  0.751303D+01  0.541577D+00  0.572450D+01
               126           127           128           129           130 
      1  -0.278906D+02 -0.857368D+01  0.168278D+02  0.263330D+00  0.100529D+02
      2  -0.217994D+02  0.122005D+02 -0.238205D+02  0.903721D+00 -0.141531D+02
      3   0.496900D+02 -0.362684D+01  0.699262D+01 -0.116705D+01  0.410020D+01
      4  -0.228440D+01 -0.683640D+01  0.423120D+01  0.177663D+01  0.620930D+01
      5   0.257209D+02 -0.442712D+00  0.154551D+01  0.148337D+01  0.189265D+01
      6  -0.611493D+00  0.205699D+00  0.615413D+00 -0.250043D+01  0.460262D+00
               131           132           133           134           135 
      1  -0.257796D+02 -0.300023D+00 -0.244823D+01  0.397607D+01 -0.362432D+01
      2   0.388305D+02  0.379902D+00  0.335587D+01 -0.521335D+01  0.345369D+01
      3  -0.130509D+02 -0.798792D-01 -0.907637D+00  0.123728D+01  0.170631D+00
      4  -0.470429D+00  0.955939D+00  0.227399D+00  0.604742D+00  0.672827D+00
      5   0.712297D-01  0.508781D+00  0.280039D+01  0.132663D+01 -0.696228D+00
      6   0.602935D+00  0.603543D+01 -0.909806D+00  0.673052D+01 -0.172984D+01
               136           137           138           139           140 
      1   0.890238D+01  0.973069D+00  0.178068D+01  0.152972D+01 -0.697228D+01
      2   0.208290D+01  0.678154D+01  0.228943D+01  0.471586D+01  0.163719D+02
      3  -0.109853D+02 -0.775461D+01 -0.407011D+01 -0.624558D+01 -0.939966D+01
      4   0.221301D+02  0.203666D+02  0.121331D+02  0.156450D+02  0.197988D+02
      5   0.134097D+02  0.997629D+01  0.129444D+02  0.703063D+01  0.991747D+01
      6   0.106495D+02  0.107880D+02  0.115304D+02  0.793270D+01  0.138948D+02
               141           142           143           144           145 
      1  -0.361946D+01  0.409366D+00 -0.538234D+01 -0.358474D+01 -0.350545D+01
      2   0.713776D+01  0.265695D+01  0.873666D+01  0.166794D+01  0.480572D+01
      3  -0.351829D+01 -0.306632D+01 -0.335432D+01  0.191680D+01 -0.130027D+01
      4   0.109963D+02  0.129621D+02  0.146320D+02  0.138923D+02 -0.141061D+01
      5   0.738271D+01  0.124349D+02  0.108540D+02  0.147921D+02  0.956480D-01
      6   0.108334D+02  0.113855D+02  0.149136D+02  0.168252D+02 -0.535091D-01
               146           147           148           149           150 
      1  -0.583732D+01  0.813878D+00 -0.373483D+01 -0.247316D+02  0.413870D+01
      2   0.708521D+01 -0.146657D+01  0.347552D+01  0.483616D+02 -0.117476D+02
      3  -0.124789D+01  0.652694D+00  0.259303D+00 -0.236301D+02  0.760891D+01
      4   0.569771D+01  0.356087D+00  0.665850D+01 -0.194423D+02  0.330992D+01
      5   0.182430D+01  0.233147D+01  0.151498D+01  0.548830D+01 -0.475097D+01
      6  -0.105674D+01  0.128279D+00 -0.107043D+01 -0.162661D+01  0.802594D+01
               151           152           153           154           155 
      1   0.218160D+01  0.112081D+02 -0.438517D+01 -0.989378D+01 -0.496766D+01
      2  -0.139665D+01 -0.216806D+02  0.795911D+01 -0.249620D+01  0.603660D+01
      3  -0.784952D+00  0.104725D+02 -0.357394D+01  0.123900D+02 -0.106894D+01
      4  -0.192595D+01  0.952751D+01 -0.509234D+01  0.140510D+02 -0.680503D+00
      5   0.209342D+01 -0.572412D+01  0.357738D+01  0.657543D+01  0.461931D+00
      6  -0.496591D+00  0.757181D+01 -0.714803D+01  0.515004D+01  0.394700D+01
               156           157           158           159           160 
      1  -0.108791D+02  0.482370D+00 -0.222251D+01  0.312715D+01 -0.879077D+01
      2  -0.715926D+00  0.233836D+01  0.230784D+01 -0.678503D+00 -0.937971D+00
      3   0.115950D+02 -0.282073D+01 -0.853257D-01 -0.244865D+01  0.972874D+01
      4   0.631991D+01 -0.664167D+00  0.180632D+01  0.515207D+00  0.754581D+01
      5   0.377209D+01  0.153018D+00  0.209327D+01  0.709317D+00  0.533821D+01
      6   0.588848D+01  0.225467D+01 -0.155547D+01  0.142871D+01  0.365267D+01
               161           162           163           164           165 
      1   0.319745D+00 -0.101496D+02  0.110960D+02  0.143512D+00 -0.258137D+01
      2  -0.100486D+01 -0.277643D+01 -0.109620D+02 -0.138819D+01  0.801031D+01
      3   0.685118D+00  0.129260D+02 -0.134029D+00  0.124467D+01 -0.542894D+01
      4   0.613651D+00  0.295897D+01 -0.186169D+02  0.153139D+02  0.152585D+02
      5  -0.145999D+01  0.162214D+00 -0.240433D+02  0.119259D+02  0.229411D+02
      6   0.396693D+01  0.663595D+01  0.129139D+02 -0.114689D+02 -0.138251D+02
               166           167           168           169           170 
      1   0.890360D+00 -0.314598D+01 -0.220266D+01 -0.364203D+01 -0.352396D+01
      2  -0.199298D+01  0.580175D+01  0.958436D+00  0.847658D+01 -0.722256D+00
      3   0.110262D+01 -0.265577D+01  0.124422D+01 -0.483455D+01  0.424622D+01
      4   0.995602D+01 -0.109976D+02 -0.808304D+01  0.151799D+02 -0.115053D+02
      5   0.558799D+01 -0.761917D+01 -0.646287D+01  0.221840D+02 -0.132538D+02
      6  -0.761764D+01  0.820255D+01  0.101954D+02 -0.129980D+02  0.146558D+02
               171           172           173           174           175 
      1  -0.660328D+01  0.687123D+02 -0.139507D+02 -0.204479D+02 -0.127984D+02
      2  -0.100203D+02 -0.323415D+02  0.388574D+01  0.892022D+01  0.262721D+01
      3   0.166236D+02 -0.363708D+02  0.100650D+02  0.115277D+02  0.101712D+02
      4  -0.160058D+02 -0.233967D+02  0.149832D+02  0.856686D+01  0.188312D+02
      5  -0.285226D+02 -0.210356D+02  0.655022D+01  0.166096D+02  0.580951D+01
      6   0.217400D+02  0.478848D+01 -0.149906D+01 -0.328739D+01 -0.177550D+01
               176           177           178           179           180 
      1   0.975632D+01  0.589832D+01 -0.423751D+02  0.106787D+02  0.166114D+02
      2  -0.221146D+01 -0.185966D+01  0.202322D+02 -0.382368D+01 -0.954953D+01
      3  -0.754486D+01 -0.403866D+01  0.221429D+02 -0.685502D+01 -0.706182D+01
      4  -0.119064D+02 -0.351180D+01  0.167713D+02 -0.971985D+01 -0.859203D+01
      5  -0.250999D+01 -0.494099D+01  0.243608D+02 -0.763493D+01 -0.212587D+02
      6   0.811766D+00  0.429419D+01 -0.510262D+01  0.456953D+01  0.493138D+01
               181           182           183           184           185 
      1   0.221358D+02  0.104373D+02  0.792605D+01  0.226807D+02  0.911390D+01
      2  -0.137135D+02 -0.724395D+01 -0.717256D+01 -0.145342D+02 -0.626936D+01
      3  -0.842228D+01 -0.319339D+01 -0.753497D+00 -0.814649D+01 -0.284454D+01
      4   0.101997D+02  0.107221D+02  0.803344D+01  0.147184D+02  0.233982D+02
      5   0.113061D+02  0.939770D+01  0.127419D+02  0.159191D+02  0.155212D+02
      6   0.310454D+01  0.157018D+01  0.130136D+01  0.247575D+01  0.493911D+01
               186           187           188           189           190 
      1   0.107988D+02  0.108994D+02  0.740767D+01  0.959256D+01  0.128379D+01
      2  -0.106952D+02 -0.101450D+02 -0.819971D+01 -0.126402D+02  0.168938D+00
      3  -0.103680D+00 -0.754425D+00  0.792034D+00  0.304767D+01 -0.145273D+01
      4   0.147475D+02  0.872053D+01  0.138977D+02  0.907684D+01 -0.458014D+01
      5   0.161371D+02  0.190475D+02  0.105798D+02  0.223798D+02  0.599469D+00
      6   0.508680D+01  0.114718D+01  0.580644D+01  0.251152D+01 -0.227988D+01
               191           192           193           194           195 
      1  -0.761305D+01  0.319776D+01 -0.955949D+01 -0.892612D+01  0.815335D+01
      2   0.455214D+01 -0.137668D+01  0.276765D+01  0.142734D+02 -0.538797D+01
      3   0.306091D+01 -0.182108D+01  0.679184D+01 -0.534733D+01 -0.276538D+01
      4   0.290173D+01  0.148005D+00  0.150255D+02 -0.338978D+02  0.205602D+02
      5  -0.181173D+00  0.239623D+01 -0.683514D+01  0.203166D+02 -0.178144D+02
      6  -0.137820D+01  0.771641D+00  0.443788D+01 -0.180843D+02  0.151449D+02
               196           197           198           199           200 
      1   0.390059D+01  0.872436D+01 -0.504750D+01 -0.125679D+01  0.140292D+01
      2  -0.266845D+01 -0.562485D+01 -0.151159D+01 -0.424788D+00  0.817730D-01
      3  -0.123214D+01 -0.309951D+01  0.655908D+01  0.168158D+01 -0.148470D+01
      4  -0.610440D+01  0.211332D+02 -0.173149D+02  0.309139D+01  0.511567D+01
      5   0.121487D+02 -0.173772D+02  0.231482D+02 -0.147203D+01 -0.231397D+01
      6  -0.410739D+01  0.152115D+02 -0.152645D+02 -0.223488D+01 -0.112020D+01
               201           202           203           204           205 
      1  -0.118939D+01  0.184620D+01 -0.120004D+02  0.606055D+01 -0.569591D+00
      2   0.514916D+00 -0.140195D-01  0.107303D+02 -0.190051D+01  0.312854D+01
      3   0.674470D+00 -0.183219D+01  0.127001D+01 -0.416003D+01 -0.255895D+01
      4  -0.137232D+01  0.518039D+01  0.851381D+01 -0.352556D+01 -0.872666D+00
      5   0.185226D+01 -0.289322D+01 -0.512114D+01  0.332450D+01  0.201990D+01
      6   0.669717D+00 -0.137712D+01 -0.114020D+02  0.702140D+01  0.208667D+01
               206           207           208           209           210 
      1   0.525759D+01 -0.262545D+01 -0.625066D+00 -0.201203D+01  0.983140D+00
      2  -0.239951D+01  0.835790D+00  0.244986D+01  0.131325D+01 -0.502439D+00
      3  -0.285808D+01  0.178966D+01 -0.182479D+01  0.698782D+00 -0.480701D+00
      4  -0.184982D+01  0.108147D+01 -0.117192D+01  0.468442D+01 -0.114001D+01
      5   0.239778D+01 -0.102336D+01  0.119198D+01 -0.557161D+00  0.664017D+00
      6   0.550285D+01 -0.449814D+01 -0.893248D+00  0.845515D+00  0.465950D-01
               211           212           213           214           215 
      1  -0.500255D+01 -0.194786D+02  0.477492D+01  0.294285D+01  0.617667D+01
      2   0.296045D+01  0.245061D+02 -0.423096D+01 -0.354008D+00 -0.616882D+01
      3   0.204211D+01 -0.502749D+01 -0.543960D+00 -0.258884D+01 -0.784958D-02
      4   0.253057D+01 -0.169422D+02  0.394675D+01 -0.193222D+01  0.600609D+01
      5  -0.770964D+00  0.324817D+01 -0.235210D+01 -0.691829D+00 -0.256528D+01
      6   0.856050D+00 -0.349032D+01  0.494604D+01  0.162153D+01  0.434182D+01
               216           217           218           219           220 
      1  -0.493195D+01  0.558171D+01  0.587159D+01 -0.632201D+01  0.410544D+01
      2   0.358214D+01 -0.429862D+01 -0.453121D+01  0.213973D+01 -0.230370D+01
      3   0.134981D+01 -0.128309D+01 -0.134038D+01  0.418228D+01 -0.180174D+01
      4  -0.317922D+01  0.281201D+01 -0.269397D+01 -0.116328D+01  0.164402D+01
      5   0.214762D+01 -0.362820D+01  0.206601D+00  0.531105D+00  0.525552D-01
      6  -0.349363D+01 -0.221056D+01  0.965238D+00 -0.213034D+01 -0.827050D+00
               221           222           223           224           225 
      1  -0.739204D+01  0.398397D+01 -0.861502D+01  0.384913D+01 -0.171216D+02
      2   0.510950D+01 -0.315366D+01  0.512539D+01 -0.148117D+01 -0.785441D+01
      3   0.228254D+01 -0.830317D+00  0.348963D+01 -0.236796D+01  0.249760D+02
      4   0.573103D+01 -0.557530D+01 -0.890435D+01 -0.136309D+02  0.120370D+02
      5  -0.585847D+01  0.641957D+01  0.104037D+02  0.139124D+02 -0.483334D+02
      6  -0.420717D+01  0.855367D+01  0.337799D+01  0.117864D+02 -0.234607D+02
               226           227           228           229           230 
      1   0.888205D+02  0.206977D+02  0.569180D+01  0.953705D+01  0.853090D+01
      2  -0.401257D+02 -0.572565D+01 -0.228964D+01 -0.548522D+00 -0.394942D+00
      3  -0.486948D+02 -0.149721D+02 -0.340215D+01 -0.898852D+01 -0.813596D+01
      4   0.431367D+02  0.225423D+02  0.302482D+01  0.162470D+02  0.100956D+02
      5   0.118993D+01  0.581152D+00  0.121019D+02  0.914810D+00  0.233334D+01
      6   0.267266D+01  0.274583D+00  0.412628D+01 -0.749215D-01  0.123202D+01
               231           232           233           234           235 
      1   0.468697D+00  0.129397D+02  0.287456D+01  0.763996D+01 -0.673568D+01
      2   0.104043D+01 -0.595652D+01  0.545137D+00 -0.479771D+01  0.718358D+01
      3  -0.150912D+01 -0.698320D+01 -0.341970D+01 -0.284225D+01 -0.447897D+00
      4   0.290720D+01  0.752804D+01  0.605923D+01  0.628021D+01 -0.243607D+00
      5   0.232616D+01  0.120394D+02  0.476781D+01  0.179185D+01  0.494025D+01
      6   0.211002D+01  0.410246D+01  0.298089D+01  0.553540D+00  0.354556D+01
               236           237           238           239           240 
      1   0.161244D+02  0.835438D+01  0.158645D+02 -0.240223D+02 -0.787886D+01
      2  -0.165734D+02 -0.609539D+01 -0.110818D+02  0.310081D+02  0.941742D+01
      3   0.449026D+00 -0.225900D+01 -0.478267D+01 -0.698578D+01 -0.153856D+01
      4  -0.907874D+01  0.401107D+00  0.163749D+01  0.226708D+02  0.624660D+01
      5  -0.175961D+01 -0.524203D+01 -0.287637D+01  0.794388D+01  0.893660D+01
      6  -0.333388D+01 -0.473672D+01 -0.189894D+01  0.757206D+01  0.748091D+01
               241           242           243 
      1   0.960219D+01 -0.911163D+01 -0.118237D+02
      2  -0.516366D+01  0.122479D+02  0.771738D+01
      3  -0.443853D+01 -0.313627D+01  0.410630D+01
      4   0.326824D+01  0.118251D+02  0.741439D+01
      5  -0.128629D+01  0.952860D+01  0.485705D+01
      6  -0.213247D+01  0.993251D+01  0.602197D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 23:30:42 2021, MaxMem=  5368709120 cpu:           59457.2 elap:            7436.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.45997 -10.52894 -10.46667 -10.45672 -10.45107
 Alpha  occ. eigenvalues --  -10.44544 -10.43901 -10.43787 -10.43384 -10.43278
 Alpha  occ. eigenvalues --  -10.42985  -1.17911  -1.01970  -0.94475  -0.89286
 Alpha  occ. eigenvalues --   -0.87318  -0.83174  -0.82040  -0.75468  -0.72425
 Alpha  occ. eigenvalues --   -0.66126  -0.64204  -0.61165  -0.59599  -0.59230
 Alpha  occ. eigenvalues --   -0.56375  -0.56075  -0.55677  -0.53470  -0.52111
 Alpha  occ. eigenvalues --   -0.50891  -0.50744  -0.49075  -0.48224  -0.47802
 Alpha  occ. eigenvalues --   -0.46611  -0.44071  -0.42703  -0.42088  -0.39923
 Alpha  occ. eigenvalues --   -0.36353  -0.36051
 Alpha virt. eigenvalues --   -0.01661  -0.00770  -0.00556  -0.00213   0.00920
 Alpha virt. eigenvalues --    0.01007   0.01388   0.01645   0.01690   0.02245
 Alpha virt. eigenvalues --    0.03119   0.03577   0.03886   0.04539   0.04701
 Alpha virt. eigenvalues --    0.05095   0.06128   0.06884   0.07455   0.08049
 Alpha virt. eigenvalues --    0.08575   0.09345   0.10268   0.10369   0.10890
 Alpha virt. eigenvalues --    0.10989   0.11255   0.11557   0.11789   0.12081
 Alpha virt. eigenvalues --    0.12365   0.12830   0.13131   0.13329   0.13781
 Alpha virt. eigenvalues --    0.14042   0.14209   0.14461   0.15620   0.15698
 Alpha virt. eigenvalues --    0.16019   0.16219   0.16365   0.17040   0.17182
 Alpha virt. eigenvalues --    0.17317   0.18806   0.19323   0.20128   0.20529
 Alpha virt. eigenvalues --    0.20970   0.21456   0.21841   0.22407   0.22793
 Alpha virt. eigenvalues --    0.23377   0.24534   0.26023   0.26378   0.26880
 Alpha virt. eigenvalues --    0.27398   0.27564   0.28429   0.28767   0.28882
 Alpha virt. eigenvalues --    0.29155   0.30113   0.30376   0.31558   0.31974
 Alpha virt. eigenvalues --    0.32257   0.32720   0.33272   0.33720   0.34056
 Alpha virt. eigenvalues --    0.34839   0.35432   0.35723   0.36344   0.36653
 Alpha virt. eigenvalues --    0.36938   0.37401   0.37844   0.38080   0.39054
 Alpha virt. eigenvalues --    0.39852   0.40022   0.40769   0.41076   0.41719
 Alpha virt. eigenvalues --    0.42024   0.42298   0.42855   0.43108   0.43928
 Alpha virt. eigenvalues --    0.44177   0.45106   0.45494   0.46030   0.46165
 Alpha virt. eigenvalues --    0.46840   0.47529   0.47971   0.48635   0.49211
 Alpha virt. eigenvalues --    0.49795   0.50486   0.51304   0.51485   0.52282
 Alpha virt. eigenvalues --    0.52962   0.53182   0.53527   0.54714   0.55169
 Alpha virt. eigenvalues --    0.55994   0.56140   0.56473   0.57028   0.57839
 Alpha virt. eigenvalues --    0.58418   0.58696   0.59229   0.59685   0.59866
 Alpha virt. eigenvalues --    0.60244   0.60604   0.61046   0.61548   0.62233
 Alpha virt. eigenvalues --    0.62656   0.63169   0.63771   0.64142   0.64621
 Alpha virt. eigenvalues --    0.65492   0.66099   0.66580   0.66854   0.67395
 Alpha virt. eigenvalues --    0.67912   0.68692   0.68827   0.70384   0.70932
 Alpha virt. eigenvalues --    0.71645   0.71736   0.71894   0.72640   0.72730
 Alpha virt. eigenvalues --    0.73482   0.73959   0.74469   0.74876   0.75333
 Alpha virt. eigenvalues --    0.76062   0.76333   0.77189   0.77583   0.78366
 Alpha virt. eigenvalues --    0.79090   0.79342   0.80804   0.80977   0.81659
 Alpha virt. eigenvalues --    0.81841   0.82601   0.83391   0.84298   0.84700
 Alpha virt. eigenvalues --    0.85459   0.86677   0.88051   0.88840   0.89360
 Alpha virt. eigenvalues --    0.89856   0.91366   0.91425   0.93133   0.93496
 Alpha virt. eigenvalues --    0.93679   0.95130   0.96015   0.96665   0.98310
 Alpha virt. eigenvalues --    0.98921   1.00244   1.02017   1.03120   1.03399
 Alpha virt. eigenvalues --    1.04783   1.05835   1.06725   1.07496   1.09191
 Alpha virt. eigenvalues --    1.10103   1.10709   1.12520   1.14365   1.14705
 Alpha virt. eigenvalues --    1.15281   1.16245   1.17147   1.18187   1.20638
 Alpha virt. eigenvalues --    1.22463   1.23111   1.23769   1.25269   1.27089
 Alpha virt. eigenvalues --    1.27207   1.28160   1.30220   1.30603   1.32445
 Alpha virt. eigenvalues --    1.33387   1.34240   1.36842   1.37604   1.40258
 Alpha virt. eigenvalues --    1.42039   1.43818   1.44424   1.45203   1.48591
 Alpha virt. eigenvalues --    1.49409   1.50493   1.52984   1.53514   1.55020
 Alpha virt. eigenvalues --    1.55385   1.56018   1.57269   1.59734   1.60502
 Alpha virt. eigenvalues --    1.61757   1.62620   1.65361   1.65642   1.66463
 Alpha virt. eigenvalues --    1.66901   1.67725   1.69769   1.71056   1.71690
 Alpha virt. eigenvalues --    1.72072   1.73997   1.75366   1.75628   1.77073
 Alpha virt. eigenvalues --    1.77274   1.78423   1.79338   1.80040   1.80643
 Alpha virt. eigenvalues --    1.81304   1.83022   1.84643   1.85735   1.87045
 Alpha virt. eigenvalues --    1.87295   1.88050   1.89289   1.91687   1.92193
 Alpha virt. eigenvalues --    1.92525   1.93992   1.95468   1.95879   1.97289
 Alpha virt. eigenvalues --    2.00289   2.00740   2.01792   2.02766   2.04185
 Alpha virt. eigenvalues --    2.06538   2.07367   2.07978   2.08586   2.09506
 Alpha virt. eigenvalues --    2.10163   2.11258   2.12313   2.13031   2.14254
 Alpha virt. eigenvalues --    2.15454   2.16719   2.17641   2.18359   2.19206
 Alpha virt. eigenvalues --    2.20195   2.21972   2.22876   2.24022   2.25889
 Alpha virt. eigenvalues --    2.26766   2.28398   2.29972   2.30130   2.31155
 Alpha virt. eigenvalues --    2.31958   2.33854   2.34395   2.35537   2.37193
 Alpha virt. eigenvalues --    2.37566   2.41150   2.42911   2.43634   2.44306
 Alpha virt. eigenvalues --    2.46482   2.46900   2.48508   2.49541   2.51314
 Alpha virt. eigenvalues --    2.52521   2.54362   2.56266   2.57667   2.58851
 Alpha virt. eigenvalues --    2.61548   2.62946   2.64874   2.65503   2.66562
 Alpha virt. eigenvalues --    2.67616   2.68274   2.69657   2.70833   2.72975
 Alpha virt. eigenvalues --    2.76117   2.77118   2.79342   2.81605   2.83246
 Alpha virt. eigenvalues --    2.84763   2.90748   2.92970   2.94562   2.99644
 Alpha virt. eigenvalues --    3.03901   3.11301   3.13199   3.23649   3.24871
 Alpha virt. eigenvalues --    3.34722   3.42931   3.50901   3.53750   3.55784
 Alpha virt. eigenvalues --    3.71260   3.75172   3.83386   3.96889   5.12433
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.861180  -1.415965   1.051364  -0.465518   0.200552  -0.046477
     2  C   -1.415965  11.036144  -3.918471   1.898442  -0.776970   0.041757
     3  C    1.051364  -3.918471  24.668426  -9.771513  -0.989209  -0.369209
     4  C   -0.465518   1.898442  -9.771513  21.895684  -5.772023  -1.784655
     5  C    0.200552  -0.776970  -0.989209  -5.772023  18.396060  -3.308799
     6  C   -0.046477   0.041757  -0.369209  -1.784655  -3.308799  10.520606
     7  O   -0.000387   0.001225  -0.011679  -0.102277  -0.210341   0.918502
     8  C   -0.609188  -1.085752  -0.444216  -0.337644   0.136344   0.023872
     9  C   -0.044264  -0.451887   0.557599   0.391878  -0.229792  -0.074730
    10  C   -0.711310   1.274132  -3.354981  -0.028688  -0.738016  -0.015375
    11  C   -0.028705   0.044875  -0.412435  -0.105982   0.078802   0.099908
    12  H    0.109257  -0.434588   0.395273  -0.176970   0.059370   0.008862
    13  H   -0.186854   0.492049  -0.221983   0.217388   0.073083  -0.011303
    14  H   -0.170580   0.330898  -3.352929   1.538192   0.112255  -0.015009
    15  H   -0.029603  -0.272097   0.006429  -0.176898   0.219495  -0.007183
    16  H    0.047969   0.295268   0.132230   0.452270  -0.026994   0.009833
    17  H    0.195856   0.044555  -0.069998   0.079020   0.063207  -0.014924
    18  H    0.137530   0.387605  -0.315774  -0.020698   0.045578   0.013826
    19  H   -0.077856  -0.299462   0.224590  -0.121943  -0.000585   0.004528
    20  H    0.135920   0.098672  -0.096873   0.033791   0.004748  -0.000792
    21  H   -0.166640   0.522578   0.114399  -0.141631   0.000078  -0.001166
    22  H    0.090423  -0.280308   0.031675   0.045166   0.019113   0.007602
    23  H    0.036724  -0.217738   1.048384  -2.566934  -0.546561   0.323718
    24  H   -0.004333   0.061784  -0.116874   0.803784  -2.438921   0.116554
    25  H   -0.001084  -0.006220  -0.020928   0.115396  -0.229951   0.042585
    26  H    0.000640   0.000654  -0.000024  -0.070699   0.404448   0.006701
    27  H   -0.012336   0.006581  -0.010269   0.065187  -0.223045   0.019330
               7          8          9         10         11         12
     1  C   -0.000387  -0.609188  -0.044264  -0.711310  -0.028705   0.109257
     2  C    0.001225  -1.085752  -0.451887   1.274132   0.044875  -0.434588
     3  C   -0.011679  -0.444216   0.557599  -3.354981  -0.412435   0.395273
     4  C   -0.102277  -0.337644   0.391878  -0.028688  -0.105982  -0.176970
     5  C   -0.210341   0.136344  -0.229792  -0.738016   0.078802   0.059370
     6  C    0.918502   0.023872  -0.074730  -0.015375   0.099908   0.008862
     7  O    7.774056   0.000795  -0.006915   0.009884  -0.032015  -0.000538
     8  C    0.000795   6.930264  -0.679085   0.756959   0.018514   0.059078
     9  C   -0.006915  -0.679085   7.132965  -0.938230  -0.016862  -0.256643
    10  C    0.009884   0.756959  -0.938230   9.900372   0.037148  -0.135870
    11  C   -0.032015   0.018514  -0.016862   0.037148   5.194180  -0.001166
    12  H   -0.000538   0.059078  -0.256643  -0.135870  -0.001166   2.878924
    13  H    0.001632  -0.040388  -0.642733  -0.059360   0.004543  -1.018963
    14  H   -0.000412  -0.035716   0.098073   0.360627   0.016883   0.043992
    15  H   -0.003497   0.014547   0.429246  -0.623006   0.013353   0.218508
    16  H    0.000973  -0.059621  -0.255825  -0.737782  -0.000151  -0.294042
    17  H    0.000010  -0.161002   0.054882  -0.065629   0.006604   0.002774
    18  H   -0.001049  -0.129399  -0.062992   0.112136  -0.024663   0.036433
    19  H   -0.000001   0.395714  -0.113029   0.024862   0.002197   0.036229
    20  H    0.000033  -0.008774   0.017161   0.009085   0.000716  -0.065290
    21  H    0.000081   0.007362  -0.001816  -0.050379   0.000716  -0.061642
    22  H   -0.000013   0.314938  -0.063352  -0.004894   0.000799   0.032801
    23  H   -0.007075   0.033888  -0.034113  -0.053968  -0.119079  -0.014554
    24  H   -0.080046  -0.011242   0.014232  -0.018349  -0.084442   0.022414
    25  H    0.028095   0.001180  -0.001867   0.001009   0.389785  -0.000164
    26  H   -0.050961   0.000064  -0.000026   0.002493  -0.071467   0.000044
    27  H    0.024927   0.004699   0.002095  -0.004541   0.440141   0.000523
              13         14         15         16         17         18
     1  C   -0.186854  -0.170580  -0.029603   0.047969   0.195856   0.137530
     2  C    0.492049   0.330898  -0.272097   0.295268   0.044555   0.387605
     3  C   -0.221983  -3.352929   0.006429   0.132230  -0.069998  -0.315774
     4  C    0.217388   1.538192  -0.176898   0.452270   0.079020  -0.020698
     5  C    0.073083   0.112255   0.219495  -0.026994   0.063207   0.045578
     6  C   -0.011303  -0.015009  -0.007183   0.009833  -0.014924   0.013826
     7  O    0.001632  -0.000412  -0.003497   0.000973   0.000010  -0.001049
     8  C   -0.040388  -0.035716   0.014547  -0.059621  -0.161002  -0.129399
     9  C   -0.642733   0.098073   0.429246  -0.255825   0.054882  -0.062992
    10  C   -0.059360   0.360627  -0.623006  -0.737782  -0.065629   0.112136
    11  C    0.004543   0.016883   0.013353  -0.000151   0.006604  -0.024663
    12  H   -1.018963   0.043992   0.218508  -0.294042   0.002774   0.036433
    13  H    3.147568  -0.036958  -0.345972   0.266457   0.014468  -0.092993
    14  H   -0.036958   3.010287   0.228373  -0.261209   0.020427   0.006690
    15  H   -0.345972   0.228373   2.849245  -0.925077  -0.005562   0.013516
    16  H    0.266457  -0.261209  -0.925077   2.756712   0.000174  -0.000975
    17  H    0.014468   0.020427  -0.005562   0.000174   2.050029  -0.465509
    18  H   -0.092993   0.006690   0.013516  -0.000975  -0.465509   2.174094
    19  H   -0.056332  -0.006863   0.013123  -0.007295  -0.499687  -0.537977
    20  H    0.035587   0.021706  -0.003525   0.011022   0.040633   0.018918
    21  H    0.018188  -0.059469  -0.004310  -0.024021   0.009275  -0.045295
    22  H   -0.018682  -0.043634   0.001302   0.002769  -0.116922   0.031566
    23  H    0.017929  -0.228983  -0.031863   0.020102  -0.074548  -0.039638
    24  H   -0.023347  -0.050040  -0.120075   0.050697  -0.009984   0.007852
    25  H    0.001174   0.002033   0.001297  -0.000198   0.002033  -0.001541
    26  H    0.000028   0.002694  -0.001001   0.000308   0.002505  -0.000757
    27  H   -0.002269   0.000154   0.001265  -0.000600  -0.003620  -0.002145
              19         20         21         22         23         24
     1  C   -0.077856   0.135920  -0.166640   0.090423   0.036724  -0.004333
     2  C   -0.299462   0.098672   0.522578  -0.280308  -0.217738   0.061784
     3  C    0.224590  -0.096873   0.114399   0.031675   1.048384  -0.116874
     4  C   -0.121943   0.033791  -0.141631   0.045166  -2.566934   0.803784
     5  C   -0.000585   0.004748   0.000078   0.019113  -0.546561  -2.438921
     6  C    0.004528  -0.000792  -0.001166   0.007602   0.323718   0.116554
     7  O   -0.000001   0.000033   0.000081  -0.000013  -0.007075  -0.080046
     8  C    0.395714  -0.008774   0.007362   0.314938   0.033888  -0.011242
     9  C   -0.113029   0.017161  -0.001816  -0.063352  -0.034113   0.014232
    10  C    0.024862   0.009085  -0.050379  -0.004894  -0.053968  -0.018349
    11  C    0.002197   0.000716   0.000716   0.000799  -0.119079  -0.084442
    12  H    0.036229  -0.065290  -0.061642   0.032801  -0.014554   0.022414
    13  H   -0.056332   0.035587   0.018188  -0.018682   0.017929  -0.023347
    14  H   -0.006863   0.021706  -0.059469  -0.043634  -0.228983  -0.050040
    15  H    0.013123  -0.003525  -0.004310   0.001302  -0.031863  -0.120075
    16  H   -0.007295   0.011022  -0.024021   0.002769   0.020102   0.050697
    17  H   -0.499687   0.040633   0.009275  -0.116922  -0.074548  -0.009984
    18  H   -0.537977   0.018918  -0.045295   0.031566  -0.039638   0.007852
    19  H    2.156974  -0.095036   0.027839   0.064370   0.026913   0.000980
    20  H   -0.095036   1.962492  -0.478055  -0.466404  -0.008294  -0.001773
    21  H    0.027839  -0.478055   2.036941  -0.488358   0.003241  -0.003096
    22  H    0.064370  -0.466404  -0.488358   1.969057   0.025655   0.006479
    23  H    0.026913  -0.008294   0.003241   0.025655   4.343432   0.310043
    24  H    0.000980  -0.001773  -0.003096   0.006479   0.310043   3.469453
    25  H   -0.000022   0.000168  -0.000173   0.000041  -0.066914  -0.022759
    26  H    0.000069   0.000054  -0.000047  -0.000125   0.001565   0.013900
    27  H    0.000016  -0.000229   0.000163   0.000807  -0.044168  -0.013826
              25         26         27
     1  C   -0.001084   0.000640  -0.012336
     2  C   -0.006220   0.000654   0.006581
     3  C   -0.020928  -0.000024  -0.010269
     4  C    0.115396  -0.070699   0.065187
     5  C   -0.229951   0.404448  -0.223045
     6  C    0.042585   0.006701   0.019330
     7  O    0.028095  -0.050961   0.024927
     8  C    0.001180   0.000064   0.004699
     9  C   -0.001867  -0.000026   0.002095
    10  C    0.001009   0.002493  -0.004541
    11  C    0.389785  -0.071467   0.440141
    12  H   -0.000164   0.000044   0.000523
    13  H    0.001174   0.000028  -0.002269
    14  H    0.002033   0.002694   0.000154
    15  H    0.001297  -0.001001   0.001265
    16  H   -0.000198   0.000308  -0.000600
    17  H    0.002033   0.002505  -0.003620
    18  H   -0.001541  -0.000757  -0.002145
    19  H   -0.000022   0.000069   0.000016
    20  H    0.000168   0.000054  -0.000229
    21  H   -0.000173  -0.000047   0.000163
    22  H    0.000041  -0.000125   0.000807
    23  H   -0.066914   0.001565  -0.044168
    24  H   -0.022759   0.013900  -0.013826
    25  H    1.155116  -0.307008  -0.103954
    26  H   -0.307008   1.634227  -0.324281
    27  H   -0.103954  -0.324281   1.150123
 Mulliken charges:
               1
     1  C    1.103684
     2  C   -1.377762
     3  C    1.246996
     4  C    0.107875
     5  C    1.678075
     6  C   -0.508564
     7  O   -0.253006
     8  C    0.903809
     9  C    1.176031
    10  C    1.051671
    11  C    0.547806
    12  H   -0.444051
    13  H   -0.531957
    14  H   -0.531483
    15  H   -0.460029
    16  H   -0.452993
    17  H   -0.099068
    18  H   -0.244338
    19  H   -0.162317
    20  H   -0.165660
    21  H   -0.214765
    22  H   -0.161871
    23  H   -1.137162
    24  H   -0.879066
    25  H    0.022869
    26  H   -0.243998
    27  H    0.029273
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.597962
     2  C   -1.377762
     3  C    0.715513
     4  C   -1.029288
     5  C    0.799010
     6  C   -0.508564
     7  O   -0.253006
     8  C    0.361513
     9  C    0.200022
    10  C    0.138650
    11  C    0.355949
 Electronic spatial extent (au):  <R**2>=           2374.3225
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -3.4638    Y=              2.0727    Z=             -1.3932  Tot=              4.2702
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -80.8430   YY=            -68.5625   ZZ=            -69.3582
   XY=              8.1538   XZ=             -4.3460   YZ=              0.2952
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -7.9218   YY=              4.3587   ZZ=              3.5631
   XY=              8.1538   XZ=             -4.3460   YZ=              0.2952
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -51.8398  YYY=             -0.9258  ZZZ=              0.3817  XYY=              0.7902
  XXY=             28.9192  XXZ=            -17.0760  XZZ=              0.0202  YZZ=              1.8518
  YYZ=             -1.4670  XYZ=              1.9027
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2599.2003 YYYY=           -563.4951 ZZZZ=           -290.0422 XXXY=            118.4871
 XXXZ=            -73.2816 YYYX=             -0.3202 YYYZ=             -3.3952 ZZZX=              4.6447
 ZZZY=             -3.7636 XXYY=           -500.6676 XXZZ=           -448.8302 YYZZ=           -143.0484
 XXYZ=             20.2359 YYXZ=              1.5232 ZZXY=              2.4591
 N-N= 6.147756254778D+02 E-N=-2.310287480350D+03  KE= 4.625417137947D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 23:30:43 2021, MaxMem=  5368709120 cpu:               5.0 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.35546403D+00 7.54876856D-01-5.22841286D-01
 Polarizability= 1.56096594D+02-4.54232330D+00 1.13939386D+02
                 6.47779059D+00-3.98160192D+00 9.80024603D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -3.5723   -3.5729       -2.9938   -2.9913
 2      3.5723    3.5729        2.0724    2.0704      -22.6377  -22.6501
 3      2.9938    2.9913       30.5544   30.5613       -2.0720   -2.0704
 4     -2.0724   -2.0704       -0.0000    0.0000        2.9938    2.9913
 5     -7.9167   -7.9112       -2.9938   -2.9913       -3.5689   -3.5729
 6      2.0720    2.0704        3.5689    3.5729        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       10.7188   10.7188       -8.9740   -8.9740
 2     -6.2113   -6.2113        0.0000    0.0000       -8.9740   -8.9740
 3     -6.2113   -6.2113       10.7188   10.7188        0.0000    0.0000
 4     10.7188   10.7188        6.2113    6.2113      -67.9504  -67.9504
 5      8.9740    8.9740       91.6839   91.6839       -6.2113   -6.2113
 6    -23.7335  -23.7335       -8.9740   -8.9740      -10.7188  -10.7188
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0220    0.0000       14.4004   14.2918       11.9460   11.9653
 2    -14.5221  -14.2918       -8.3565   -8.2817       90.6150   90.6006
 3    -11.8126  -11.9653     -122.4890 -122.2452        8.0542    8.2817
 4      8.0679    8.2817       -0.1408    0.0000      -12.2503  -11.9653
 5     31.7516   31.6446       11.6450   11.9653       14.8682   14.2918
 6     -8.3775   -8.2817      -14.5882  -14.2918       -0.0237    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.4439    0.0000       -8.8430   -9.3402      -40.3259  -40.4127
 2      9.2351    9.3402       -9.5800   -9.0383       41.9655   41.4051
 3     40.2649   40.4127       19.5080   19.0629       10.1915    9.0383
 4      9.1038    9.0383       -0.2951    0.0000       40.6218   40.4127
 5    -60.1664  -60.4681      -41.2676  -40.4127       -8.8610   -9.3402
 6     -9.2443   -9.0383        9.4395    9.3402        0.2873    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     25.2894   25.7700       16.8260   16.9376       32.8365   32.9431
 2     40.8585   41.2402       15.0091   15.0173       32.9729   32.9431
 3     40.8738   41.2402       16.7032   16.9376       56.6445   56.5285
 4      1.8961    1.9202      -16.6584  -15.4702       45.8740   45.3534
 5     23.6302   23.5854       44.9505   44.7819       15.2550   15.4702
 6    -89.4215  -90.1352      -24.0144  -23.5854       -1.0852   -1.9202
 Full mass-weighted force constant matrix:
 Low frequencies ---   -0.0007    0.0002    0.0004    1.3636    4.2058    7.7124
 Low frequencies ---   34.4183   64.1305   77.5392
 Diagonal vibrational polarizability:
       20.7848993      12.8922940      65.1871880
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     34.4020                64.1213                77.5359
 Red. masses --      4.0133                 2.8285                 3.4063
 Frc consts  --      0.0028                 0.0069                 0.0121
 IR Inten    --      3.3014                 0.3621                 0.7785
 RamAct Fr= 1--      1.6993                 0.3789                 0.6415
  Dep-P Fr= 1--      0.7372                 0.5274                 0.6561
  Dep-U Fr= 1--      0.8487                 0.6905                 0.7923
 Alpha2 Fr= 1--      0.0004                 0.0016                 0.0011
 Beta2  Fr= 1--      0.2404                 0.0436                 0.0847
 AlphaG Fr= 1--     -0.0020                -0.0035                -0.0074
 Gamma2 Fr= 1--      0.8807                -0.0971                 0.2001
 Delta2 Fr= 1--      0.4643                -0.0121                 0.1798
 Raman1 Fr= 1--       6.797                  1.516                  2.566
 ROA1   Fr= 1--      99.402                 -9.713                 24.962
 CID1   Fr= 1--      14.624                 -6.408                  9.727
 Raman2 Fr= 1--       2.884                  0.523                  1.017
 ROA2   Fr= 1--      17.422                 -2.235                  3.363
 CID2   Fr= 1--       6.040                 -4.270                  3.308
 Raman3 Fr= 1--       5.769                  1.047                  2.033
 ROA3   Fr= 1--      99.402                 -9.713                 24.962
 CID3   Fr= 1--      17.231                 -9.280                 12.277
 RC180  Fr= 1--       0.697                  0.381                  0.585
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.07   0.07     0.03   0.10  -0.12     0.22  -0.05  -0.03
     2   6     0.04  -0.02   0.03     0.04   0.01  -0.00     0.07  -0.00  -0.01
     3   6    -0.02   0.03  -0.07    -0.02   0.03  -0.08    -0.02  -0.11  -0.04
     4   6    -0.01   0.00  -0.10    -0.01   0.01  -0.08    -0.02  -0.12  -0.10
     5   6    -0.05   0.04   0.02    -0.04  -0.01  -0.05    -0.01  -0.07  -0.06
     6   6    -0.05   0.03   0.04    -0.04  -0.03   0.03    -0.05   0.03   0.01
     7   8    -0.12   0.10   0.26    -0.07  -0.06   0.02    -0.00   0.09   0.01
     8   6     0.01   0.03   0.12    -0.06  -0.13   0.11     0.08   0.14   0.03
     9   6     0.07  -0.06  -0.05     0.21   0.04   0.05    -0.04   0.01   0.01
    10   6    -0.01   0.01  -0.13     0.01   0.03  -0.05    -0.06  -0.07   0.03
    11   6     0.04  -0.08  -0.22    -0.02   0.00   0.14    -0.18   0.10   0.12
    12   1     0.08  -0.07  -0.01     0.27   0.02   0.26    -0.07   0.09  -0.02
    13   1     0.12  -0.12  -0.09     0.38   0.09  -0.08    -0.06  -0.02   0.03
    14   1    -0.07   0.10  -0.04    -0.05   0.05  -0.06    -0.07  -0.14  -0.04
    15   1    -0.01  -0.02  -0.22     0.00  -0.02  -0.20    -0.07  -0.07   0.07
    16   1    -0.06   0.06  -0.12    -0.12   0.09   0.04    -0.07  -0.09   0.06
    17   1     0.07  -0.04   0.12    -0.09   0.07  -0.19     0.30  -0.07  -0.03
    18   1     0.12  -0.11   0.01     0.08   0.20  -0.19     0.21  -0.16  -0.06
    19   1     0.13  -0.11   0.13     0.08   0.10  -0.08     0.27   0.03  -0.01
    20   1     0.05  -0.00   0.17    -0.00  -0.16   0.18     0.14   0.23   0.05
    21   1    -0.03   0.07   0.08    -0.06  -0.18   0.19    -0.03   0.17   0.05
    22   1    -0.02   0.07   0.16    -0.20  -0.15   0.06     0.16   0.12   0.02
    23   1     0.03  -0.04  -0.21     0.00   0.01  -0.07    -0.03  -0.13  -0.14
    24   1    -0.09   0.09   0.15    -0.06  -0.01  -0.07     0.03  -0.07  -0.03
    25   1     0.11  -0.29  -0.26    -0.00   0.09   0.15    -0.19   0.19   0.13
    26   1     0.04  -0.08  -0.19    -0.03  -0.02   0.18    -0.19   0.18   0.13
    27   1     0.05   0.05  -0.40    -0.03  -0.04   0.19    -0.24  -0.00   0.19
                      4                      5                      6
                      A                      A                      A
 Frequencies --    128.2250               147.9504               169.2586
 Red. masses --      1.0267                 3.5228                 3.0842
 Frc consts  --      0.0099                 0.0454                 0.0521
 IR Inten    --      0.0183                 1.4253                 2.5397
 RamAct Fr= 1--      0.0778                 0.4133                 0.4752
  Dep-P Fr= 1--      0.6919                 0.7316                 0.7164
  Dep-U Fr= 1--      0.8179                 0.8450                 0.8348
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.0003
 Beta2  Fr= 1--      0.0106                 0.0582                 0.0661
 AlphaG Fr= 1--     -0.0004                 0.0046                -0.0017
 Gamma2 Fr= 1--     -0.0173                -0.4612                 0.7827
 Delta2 Fr= 1--      0.0169                -0.0359                 0.0252
 Raman1 Fr= 1--       0.311                  1.653                  1.901
 ROA1   Fr= 1--      -1.118                -45.425                 75.946
 CID1   Fr= 1--      -3.595                -27.478                 39.953
 Raman2 Fr= 1--       0.127                  0.698                  0.793
 ROA2   Fr= 1--      -0.551                -10.782                 18.583
 CID2   Fr= 1--      -4.329                -15.438                 23.422
 Raman3 Fr= 1--       0.254                  1.397                  1.587
 ROA3   Fr= 1--      -1.118                -45.425                 75.946
 CID3   Fr= 1--      -4.395                -32.519                 47.862
 RC180  Fr= 1--       0.636                  0.690                  0.670
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.05  -0.01  -0.03     0.05  -0.07  -0.00
     2   6     0.00   0.00   0.00     0.02  -0.01  -0.02    -0.02  -0.03  -0.01
     3   6    -0.00   0.00   0.00     0.01  -0.00  -0.04    -0.03  -0.05  -0.02
     4   6    -0.00   0.00   0.01     0.00  -0.03  -0.00    -0.04   0.09  -0.16
     5   6     0.00  -0.00   0.00    -0.10   0.10   0.37    -0.06   0.17  -0.02
     6   6    -0.00   0.00   0.01    -0.03   0.02   0.08    -0.02   0.05  -0.01
     7   8     0.01  -0.01  -0.03     0.06  -0.04  -0.17    -0.13  -0.09  -0.03
     8   6    -0.00   0.00   0.00     0.01   0.00   0.01    -0.01   0.02   0.01
     9   6     0.00   0.00   0.00     0.04  -0.02  -0.03    -0.05  -0.02   0.02
    10   6    -0.00   0.00   0.00    -0.02  -0.00  -0.07     0.12  -0.04   0.13
    11   6    -0.01   0.00   0.01    -0.06   0.00  -0.01     0.17   0.02   0.08
    12   1     0.00   0.00   0.01     0.05  -0.01   0.01    -0.08  -0.05  -0.12
    13   1     0.00   0.00   0.00     0.08  -0.04  -0.06    -0.19   0.03   0.12
    14   1     0.00   0.00   0.00     0.02   0.03  -0.04    -0.14  -0.18  -0.01
    15   1    -0.00  -0.00  -0.00    -0.04  -0.04  -0.14     0.21   0.10   0.27
    16   1    -0.01   0.00   0.00    -0.07   0.05  -0.07     0.24  -0.24   0.13
    17   1     0.00   0.00  -0.00     0.05  -0.02  -0.04     0.07  -0.06   0.01
    18   1     0.00   0.00   0.00     0.05  -0.02  -0.04     0.05  -0.12  -0.03
    19   1     0.00   0.00   0.00     0.06   0.01  -0.02     0.08  -0.06   0.02
    20   1     0.00   0.00   0.00     0.03  -0.00   0.02     0.01   0.07   0.01
    21   1    -0.00   0.00   0.00    -0.00   0.01   0.00    -0.06   0.03   0.02
    22   1    -0.00   0.00   0.00     0.00   0.01   0.01     0.02   0.01  -0.01
    23   1    -0.00   0.01   0.02     0.11  -0.16  -0.33    -0.07   0.04  -0.34
    24   1     0.01  -0.01  -0.02    -0.18   0.22   0.68    -0.11   0.23   0.11
    25   1     0.52  -0.23  -0.11    -0.12  -0.06  -0.01     0.26   0.08   0.07
    26   1    -0.14   0.19   0.50    -0.04   0.00  -0.11     0.17  -0.10   0.16
    27   1    -0.39   0.01  -0.45    -0.02   0.04  -0.02     0.20   0.06   0.06
                      7                      8                      9
                      A                      A                      A
 Frequencies --    237.0555               254.0247               269.2980
 Red. masses --      1.4304                 1.9393                 1.2521
 Frc consts  --      0.0474                 0.0737                 0.0535
 IR Inten    --      0.0380                 0.2095                 0.0712
 RamAct Fr= 1--      0.5437                 2.4813                 1.0426
  Dep-P Fr= 1--      0.7280                 0.1387                 0.1890
  Dep-U Fr= 1--      0.8426                 0.2435                 0.3179
 Alpha2 Fr= 1--      0.0002                 0.0395                 0.0146
 Beta2  Fr= 1--      0.0763                 0.1007                 0.0552
 AlphaG Fr= 1--     -0.0023                 0.0246                 0.0403
 Gamma2 Fr= 1--     -0.1604                -0.0636                 0.3629
 Delta2 Fr= 1--      0.0587                 0.1589                 0.0008
 Raman1 Fr= 1--       2.175                  9.925                  4.170
 ROA1   Fr= 1--     -13.523                 -1.022                 34.865
 CID1   Fr= 1--      -6.218                 -0.103                  8.360
 Raman2 Fr= 1--       0.916                  1.209                  0.663
 ROA2   Fr= 1--      -4.320                 -2.798                  8.703
 CID2   Fr= 1--      -4.716                 -2.315                 13.128
 Raman3 Fr= 1--       1.832                  2.417                  1.326
 ROA3   Fr= 1--     -13.523                 -1.022                 34.865
 CID3   Fr= 1--      -7.380                 -0.423                 26.297
 RC180  Fr= 1--       0.685                 -0.513                 -0.364
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.01  -0.09     0.01  -0.01  -0.06     0.04  -0.01  -0.02
     2   6    -0.02  -0.02  -0.00    -0.04  -0.01  -0.02     0.00  -0.02   0.02
     3   6    -0.01  -0.00   0.01    -0.03  -0.04  -0.01    -0.00   0.01   0.02
     4   6    -0.01   0.01   0.05     0.00  -0.05   0.01    -0.03   0.06   0.08
     5   6     0.02   0.01   0.00     0.05   0.01   0.01    -0.02   0.02   0.00
     6   6     0.02   0.02   0.01     0.08   0.03   0.01    -0.03   0.01   0.01
     7   8     0.02   0.01   0.00     0.08   0.03   0.01    -0.04  -0.01  -0.01
     8   6    -0.07  -0.01   0.08    -0.09   0.01   0.07     0.03  -0.01  -0.02
     9   6    -0.05  -0.03  -0.02    -0.08  -0.00  -0.02     0.02  -0.04   0.00
    10   6    -0.02  -0.01  -0.02    -0.12  -0.02  -0.03     0.01  -0.01  -0.02
    11   6     0.05   0.01   0.00     0.13   0.03   0.03    -0.01  -0.00  -0.02
    12   1    -0.07  -0.03  -0.08    -0.10   0.04  -0.02     0.03  -0.06   0.01
    13   1    -0.09  -0.07   0.00    -0.07  -0.04  -0.03     0.04  -0.05  -0.01
    14   1     0.02   0.01   0.00     0.01  -0.02  -0.02     0.02   0.04   0.02
    15   1    -0.02  -0.01  -0.02    -0.16  -0.08  -0.05     0.01  -0.02  -0.05
    16   1    -0.01  -0.00  -0.05    -0.15   0.05  -0.05     0.01   0.02  -0.04
    17   1     0.48  -0.17  -0.26    -0.33   0.07  -0.02     0.22  -0.08  -0.08
    18   1    -0.13  -0.15   0.20     0.20   0.11  -0.36    -0.03  -0.08   0.09
    19   1    -0.07   0.40  -0.35     0.20  -0.21   0.19    -0.01   0.15  -0.12
    20   1    -0.07  -0.23   0.16     0.06   0.26   0.14     0.14   0.50  -0.09
    21   1    -0.00   0.07  -0.07    -0.29  -0.07   0.31    -0.21  -0.17   0.36
    22   1    -0.19   0.14   0.24    -0.10  -0.14  -0.12     0.20  -0.33  -0.40
    23   1    -0.03   0.03   0.11    -0.02  -0.04  -0.01    -0.06   0.10   0.18
    24   1     0.04  -0.01  -0.04     0.09   0.01   0.03    -0.01  -0.01  -0.10
    25   1     0.06   0.01   0.00     0.16   0.05   0.03    -0.02  -0.02  -0.02
    26   1     0.06  -0.02   0.00     0.14  -0.03   0.05    -0.00  -0.02  -0.03
    27   1     0.07   0.03  -0.00     0.16   0.05   0.03     0.01   0.02  -0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    277.1663               307.8571               346.9303
 Red. masses --      1.9857                 1.8985                 2.2429
 Frc consts  --      0.0899                 0.1060                 0.1591
 IR Inten    --      0.1475                 0.3473                 0.0451
 RamAct Fr= 1--      1.4850                 1.0530                 0.9206
  Dep-P Fr= 1--      0.2895                 0.3677                 0.3703
  Dep-U Fr= 1--      0.4490                 0.5377                 0.5405
 Alpha2 Fr= 1--      0.0157                 0.0087                 0.0076
 Beta2  Fr= 1--      0.1111                 0.0944                 0.0829
 AlphaG Fr= 1--     -0.0022                 0.0360                -0.0374
 Gamma2 Fr= 1--      1.2230                -0.5626                -0.1329
 Delta2 Fr= 1--      0.1159                 0.0704                -0.0367
 Raman1 Fr= 1--       5.940                  4.212                  3.683
 ROA1   Fr= 1--     121.119                -51.761                -13.930
 CID1   Fr= 1--      20.390                -12.289                 -3.783
 Raman2 Fr= 1--       1.334                  1.132                  0.995
 ROA2   Fr= 1--      28.425                -14.066                 -2.895
 CID2   Fr= 1--      21.314                -12.422                 -2.909
 Raman3 Fr= 1--       2.667                  2.265                  1.990
 ROA3   Fr= 1--     121.119                -51.761                -13.930
 CID3   Fr= 1--      45.410                -22.855                 -6.998
 RC180  Fr= 1--      -0.102                  0.075                  0.081
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.00  -0.08     0.09  -0.04  -0.04    -0.14  -0.02  -0.03
     2   6    -0.01   0.00  -0.05     0.01  -0.03  -0.01    -0.04  -0.04  -0.06
     3   6     0.03   0.03  -0.01    -0.02  -0.04   0.02    -0.01  -0.08  -0.04
     4   6     0.00   0.06   0.10    -0.08   0.05   0.14    -0.03  -0.03   0.03
     5   6    -0.02  -0.03   0.02    -0.03   0.05   0.01     0.00  -0.01   0.01
     6   6    -0.03  -0.03   0.02    -0.04   0.05   0.01     0.01   0.01   0.02
     7   8    -0.00  -0.02   0.00    -0.06  -0.01  -0.03     0.02   0.01  -0.01
     8   6    -0.07   0.04   0.07     0.06   0.00  -0.08    -0.03   0.21   0.03
     9   6    -0.02  -0.01  -0.06     0.04  -0.01   0.04     0.13  -0.02   0.01
    10   6     0.16   0.01   0.02    -0.07  -0.04  -0.00     0.05  -0.07   0.01
    11   6    -0.10  -0.04  -0.03     0.06   0.02  -0.02     0.03  -0.00   0.00
    12   1    -0.06  -0.06  -0.23     0.08   0.01   0.17     0.22  -0.11   0.22
    13   1    -0.17   0.01   0.04     0.15   0.03  -0.04     0.28   0.15  -0.09
    14   1     0.09  -0.02  -0.03     0.04  -0.03   0.01     0.03  -0.13  -0.06
    15   1     0.25   0.14   0.14    -0.13  -0.13  -0.08     0.07  -0.07  -0.03
    16   1     0.29  -0.15  -0.00    -0.17   0.06   0.02    -0.01  -0.08   0.08
    17   1    -0.23   0.06  -0.06    -0.12   0.01  -0.02    -0.10  -0.02  -0.02
    18   1     0.22   0.08  -0.36     0.22   0.00  -0.27    -0.21   0.03   0.12
    19   1     0.24  -0.15   0.14     0.25  -0.15   0.14    -0.27  -0.04  -0.15
    20   1     0.01  -0.01   0.17    -0.08  -0.24  -0.14     0.08   0.31   0.12
    21   1    -0.13   0.06   0.06     0.23   0.11  -0.34    -0.27   0.37  -0.05
    22   1    -0.16   0.08   0.11     0.09   0.17   0.14     0.11   0.27   0.14
    23   1     0.01   0.10   0.24    -0.18   0.14   0.32    -0.06  -0.00   0.09
    24   1    -0.01  -0.06  -0.10     0.04  -0.02  -0.17     0.05  -0.03  -0.04
    25   1    -0.16  -0.09  -0.03     0.06  -0.00  -0.02     0.02  -0.01  -0.00
    26   1    -0.10   0.03  -0.09     0.07  -0.06  -0.03     0.03  -0.03  -0.01
    27   1    -0.12  -0.04  -0.04     0.12   0.09  -0.04     0.05   0.02  -0.01
                     13                     14                     15
                      A                      A                      A
 Frequencies --    373.1294               442.9297               469.9913
 Red. masses --      2.2187                 2.4928                 2.8109
 Frc consts  --      0.1820                 0.2881                 0.3658
 IR Inten    --      0.0703                 0.2444                 1.8502
 RamAct Fr= 1--      0.5946                 2.2509                 0.1601
  Dep-P Fr= 1--      0.5915                 0.4053                 0.6256
  Dep-U Fr= 1--      0.7433                 0.5768                 0.7697
 Alpha2 Fr= 1--      0.0018                 0.0164                 0.0004
 Beta2  Fr= 1--      0.0737                 0.2164                 0.0205
 AlphaG Fr= 1--      0.0028                 0.0403                -0.0074
 Gamma2 Fr= 1--     -0.1204                -0.2838                 0.2847
 Delta2 Fr= 1--     -0.1590                -0.2967                -0.0273
 Raman1 Fr= 1--       2.378                  9.004                  0.641
 ROA1   Fr= 1--     -16.647                -36.742                 26.458
 CID1   Fr= 1--      -6.999                 -4.081                 41.308
 Raman2 Fr= 1--       0.884                  2.597                  0.247
 ROA2   Fr= 1--      -1.618                 -4.439                  7.051
 CID2   Fr= 1--      -1.830                 -1.709                 28.604
 Raman3 Fr= 1--       1.768                  5.193                  0.493
 ROA3   Fr= 1--     -16.647                -36.742                 26.458
 CID3   Fr= 1--      -9.416                 -7.075                 53.666
 RC180  Fr= 1--       0.487                  0.154                  0.539
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.15  -0.08    -0.04   0.06   0.06    -0.03  -0.03  -0.02
     2   6     0.05  -0.05   0.12     0.16   0.05  -0.08     0.05  -0.03  -0.04
     3   6     0.00  -0.00   0.06     0.06  -0.10  -0.07     0.07  -0.06   0.00
     4   6     0.00  -0.01  -0.03    -0.02  -0.05   0.06     0.04   0.16  -0.05
     5   6    -0.00   0.01  -0.01    -0.01  -0.02   0.03     0.06   0.18  -0.05
     6   6    -0.01   0.01  -0.02    -0.08   0.07   0.03     0.11  -0.02   0.06
     7   8    -0.04  -0.01  -0.00    -0.09  -0.01  -0.05     0.04  -0.13   0.05
     8   6     0.13   0.04   0.05     0.08  -0.05   0.09     0.03  -0.00   0.04
     9   6    -0.05  -0.15  -0.00    -0.03   0.09  -0.08    -0.04   0.02   0.01
    10   6     0.01  -0.04  -0.05    -0.02  -0.05  -0.01    -0.10  -0.05   0.02
    11   6    -0.00   0.01   0.00     0.04   0.04  -0.02    -0.12  -0.01  -0.03
    12   1    -0.11  -0.12  -0.16    -0.13   0.27  -0.21    -0.06   0.11   0.04
    13   1    -0.14  -0.32   0.07    -0.15  -0.03   0.00    -0.02   0.00  -0.00
    14   1    -0.07   0.08   0.10     0.10  -0.12  -0.09     0.06  -0.14  -0.01
    15   1     0.02  -0.03  -0.06    -0.04  -0.04   0.13    -0.26  -0.24  -0.00
    16   1     0.05  -0.02  -0.11     0.02  -0.11  -0.00    -0.19   0.15  -0.02
    17   1    -0.33   0.02  -0.32    -0.05   0.15   0.19    -0.06  -0.01   0.00
    18   1     0.04   0.49  -0.13    -0.13   0.15   0.26    -0.05   0.03   0.04
    19   1    -0.05   0.19  -0.07    -0.25  -0.13  -0.08    -0.11  -0.10  -0.07
    20   1     0.08   0.06  -0.01     0.20  -0.11   0.25     0.11  -0.01   0.14
    21   1     0.12   0.12  -0.05     0.04  -0.12   0.21    -0.06   0.03   0.05
    22   1     0.28   0.08   0.13    -0.15  -0.06   0.04    -0.02   0.02   0.07
    23   1     0.00  -0.03  -0.09    -0.08   0.03   0.25    -0.14   0.20  -0.06
    24   1    -0.01   0.03   0.05     0.11  -0.10  -0.14    -0.08   0.17  -0.14
    25   1     0.02   0.04   0.00     0.06  -0.02  -0.03    -0.32  -0.19  -0.02
    26   1    -0.00   0.00   0.02     0.07  -0.10  -0.04    -0.14   0.35  -0.20
    27   1    -0.01   0.00   0.01     0.15   0.16  -0.07    -0.29  -0.14  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    529.8795               571.1037               592.5872
 Red. masses --      3.4216                 2.8922                 2.7614
 Frc consts  --      0.5660                 0.5558                 0.5713
 IR Inten    --      7.5931                11.4302                 0.7370
 RamAct Fr= 1--      1.6336                 8.3369                 1.0374
  Dep-P Fr= 1--      0.4339                 0.0645                 0.0584
  Dep-U Fr= 1--      0.6052                 0.1212                 0.1104
 Alpha2 Fr= 1--      0.0107                 0.1591                 0.0201
 Beta2  Fr= 1--      0.1648                 0.1684                 0.0191
 AlphaG Fr= 1--      0.0134                 0.2032                -0.1402
 Gamma2 Fr= 1--      0.5982                -0.2710                -0.4432
 Delta2 Fr= 1--      0.1897                -0.1041                 0.1686
 Raman1 Fr= 1--       6.534                 33.348                  4.150
 ROA1   Fr= 1--      63.498                -29.345                -37.147
 CID1   Fr= 1--       9.718                 -0.880                 -8.952
 Raman2 Fr= 1--       1.977                  2.021                  0.229
 ROA2   Fr= 1--      12.839                 -5.671                -11.985
 CID2   Fr= 1--       6.493                 -2.806                -52.299
 Raman3 Fr= 1--       3.955                  4.042                  0.458
 ROA3   Fr= 1--      63.498                -29.345                -37.147
 CID3   Fr= 1--      16.057                 -7.260                -81.052
 RC180  Fr= 1--       0.210                 -0.758                 -0.779
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.05   0.04    -0.04  -0.10  -0.07    -0.04  -0.10  -0.07
     2   6     0.02   0.02   0.04     0.06  -0.06  -0.06    -0.02  -0.06   0.01
     3   6    -0.14  -0.02  -0.11     0.08   0.02   0.02     0.09   0.07   0.01
     4   6    -0.13   0.05  -0.08     0.02   0.14   0.01     0.12  -0.01  -0.09
     5   6    -0.10   0.04  -0.05    -0.11  -0.01   0.01     0.03  -0.08  -0.05
     6   6    -0.01  -0.02   0.20    -0.08  -0.10  -0.13    -0.11   0.09   0.20
     7   8     0.23   0.08  -0.03     0.05   0.16  -0.00    -0.03  -0.01  -0.09
     8   6     0.05  -0.02  -0.00     0.07  -0.01   0.05     0.00   0.00   0.01
     9   6     0.00  -0.01  -0.00    -0.02   0.03   0.03    -0.03  -0.01   0.08
    10   6    -0.00  -0.03  -0.00    -0.02   0.03   0.04    -0.00   0.10   0.05
    11   6     0.01  -0.14   0.05     0.00  -0.13   0.04    -0.01   0.03   0.01
    12   1    -0.03   0.03  -0.06    -0.07   0.09  -0.04    -0.04  -0.05  -0.01
    13   1    -0.04  -0.07   0.03    -0.09   0.05   0.08    -0.09   0.03   0.12
    14   1    -0.26  -0.00  -0.07     0.10  -0.05   0.00     0.01   0.05   0.03
    15   1     0.14   0.15   0.06    -0.18  -0.17  -0.03    -0.13  -0.07  -0.08
    16   1     0.07  -0.26   0.09    -0.12   0.24   0.00    -0.11   0.30   0.02
    17   1    -0.01   0.05   0.03    -0.08  -0.08  -0.05    -0.05  -0.15  -0.13
    18   1     0.01   0.09   0.07    -0.06  -0.03  -0.01    -0.02  -0.09  -0.10
    19   1    -0.02   0.04   0.01    -0.12  -0.18  -0.12    -0.01  -0.05  -0.05
    20   1    -0.03  -0.03  -0.08     0.18  -0.01   0.16     0.04   0.05   0.04
    21   1     0.14  -0.05  -0.02    -0.05   0.04   0.04    -0.09   0.07  -0.03
    22   1     0.08  -0.04  -0.02     0.05   0.02   0.09     0.08   0.03   0.06
    23   1    -0.25   0.16   0.17     0.09   0.10  -0.07     0.22  -0.00   0.01
    24   1    -0.14  -0.06  -0.36    -0.32   0.04   0.08     0.06  -0.13  -0.18
    25   1    -0.07  -0.40   0.03     0.21   0.21   0.05    -0.05  -0.37  -0.03
    26   1     0.05  -0.22  -0.10    -0.01  -0.36   0.29     0.07  -0.18  -0.20
    27   1     0.14   0.07  -0.10     0.05  -0.19   0.18     0.24   0.40  -0.24
                     19                     20                     21
                      A                      A                      A
 Frequencies --    642.8687               734.4497               804.5644
 Red. masses --      3.0557                 1.4617                 2.3306
 Frc consts  --      0.7441                 0.4646                 0.8889
 IR Inten    --      4.5884                 1.7872                 1.0794
 RamAct Fr= 1--     10.0498                 3.8177                 8.9032
  Dep-P Fr= 1--      0.1196                 0.0245                 0.0300
  Dep-U Fr= 1--      0.2136                 0.0478                 0.0582
 Alpha2 Fr= 1--      0.1677                 0.0801                 0.1844
 Beta2  Fr= 1--      0.3577                 0.0304                 0.0863
 AlphaG Fr= 1--      0.0755                -0.0247                -0.3458
 Gamma2 Fr= 1--      1.2991                -0.4589                 0.2026
 Delta2 Fr= 1--      0.9540                -0.0639                -0.7461
 Raman1 Fr= 1--      40.199                 15.271                 35.613
 ROA1   Fr= 1--     155.243                -46.098                 -4.430
 CID1   Fr= 1--       3.862                 -3.019                 -0.124
 Raman2 Fr= 1--       4.293                  0.365                  1.036
 ROA2   Fr= 1--      23.546                -10.502                 10.831
 CID2   Fr= 1--       5.485                -28.786                 10.454
 Raman3 Fr= 1--       8.586                  0.730                  2.072
 ROA3   Fr= 1--     155.243                -46.098                 -4.430
 CID3   Fr= 1--      18.081                -63.176                 -2.138
 RC180  Fr= 1--      -0.573                 -0.904                 -0.884
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.15   0.10    -0.02  -0.05  -0.03     0.00  -0.02  -0.04
     2   6    -0.05   0.08   0.02    -0.01  -0.01   0.02     0.05   0.04  -0.08
     3   6     0.15  -0.10   0.12    -0.01   0.05   0.09    -0.07  -0.00   0.21
     4   6     0.08   0.07  -0.05     0.02   0.02  -0.00    -0.13  -0.07   0.06
     5   6    -0.00   0.01  -0.04     0.02  -0.00  -0.02     0.02   0.02  -0.12
     6   6    -0.10   0.00   0.03    -0.02   0.01   0.02     0.01   0.04   0.03
     7   8    -0.01   0.06  -0.04    -0.01   0.01  -0.01     0.01   0.01  -0.01
     8   6    -0.14   0.04  -0.06     0.05  -0.01   0.03     0.03   0.01  -0.01
     9   6     0.01  -0.07  -0.08    -0.05   0.07  -0.08     0.03   0.01  -0.02
    10   6     0.02  -0.15  -0.00    -0.05  -0.06  -0.03     0.07   0.02  -0.03
    11   6    -0.03  -0.07   0.03    -0.01  -0.01   0.01    -0.00  -0.04   0.06
    12   1     0.08  -0.13   0.10     0.06   0.17   0.41     0.00  -0.01  -0.16
    13   1     0.14  -0.03  -0.17     0.34   0.10  -0.36    -0.08   0.07   0.06
    14   1     0.14  -0.23   0.09    -0.04   0.14   0.12     0.03   0.00   0.18
    15   1    -0.20  -0.38   0.04     0.06   0.19   0.37     0.06  -0.06  -0.29
    16   1    -0.01   0.13  -0.17     0.28  -0.33  -0.19    -0.03   0.25  -0.08
    17   1     0.10   0.14   0.10    -0.03  -0.09  -0.09     0.02   0.09   0.12
    18   1     0.08   0.07   0.03    -0.00  -0.04  -0.07    -0.04  -0.07   0.02
    19   1     0.14   0.22   0.16     0.01   0.01  -0.01    -0.08  -0.19  -0.07
    20   1    -0.17  -0.01  -0.07     0.07  -0.02   0.06     0.14  -0.07   0.13
    21   1    -0.07  -0.03  -0.01     0.04  -0.02   0.04    -0.01  -0.03   0.06
    22   1    -0.25   0.01  -0.11     0.04  -0.01   0.04    -0.16   0.03  -0.02
    23   1     0.03   0.05  -0.12     0.06  -0.02  -0.10    -0.18  -0.20  -0.39
    24   1    -0.14   0.03  -0.04    -0.01   0.03   0.06    -0.00   0.18   0.34
    25   1     0.04  -0.12   0.01    -0.01  -0.07   0.00    -0.10  -0.30   0.03
    26   1     0.01  -0.27   0.04     0.00  -0.06  -0.02     0.02  -0.01  -0.10
    27   1     0.11   0.08  -0.03     0.03   0.04  -0.03     0.00   0.06  -0.09
                     22                     23                     24
                      A                      A                      A
 Frequencies --    818.7282               859.2869               892.4254
 Red. masses --      3.4602                 2.4072                 1.8324
 Frc consts  --      1.3666                 1.0472                 0.8598
 IR Inten    --      2.8623                 2.7187                 0.2732
 RamAct Fr= 1--     10.4780                22.0421                 5.5721
  Dep-P Fr= 1--      0.6367                 0.6884                 0.5315
  Dep-U Fr= 1--      0.7781                 0.8154                 0.6941
 Alpha2 Fr= 1--      0.0215                 0.0238                 0.0236
 Beta2  Fr= 1--      1.3588                 2.9956                 0.6446
 AlphaG Fr= 1--     -0.0139                 0.1174                 0.2526
 Gamma2 Fr= 1--     -2.4741                 5.0045                -2.7721
 Delta2 Fr= 1--      0.0357                 0.0731                -1.2291
 Raman1 Fr= 1--      41.912                 88.168                 22.289
 ROA1   Fr= 1--    -236.371                482.770               -305.453
 CID1   Fr= 1--      -5.640                  5.476                -13.704
 Raman2 Fr= 1--      16.305                 35.947                  7.735
 ROA2   Fr= 1--     -59.665                119.524                -56.698
 CID2   Fr= 1--      -3.659                  3.325                 -7.330
 Raman3 Fr= 1--      32.610                 71.894                 15.470
 ROA3   Fr= 1--    -236.371                482.770               -305.453
 CID3   Fr= 1--      -7.248                  6.715                -19.745
 RC180  Fr= 1--       0.556                  0.631                  0.388
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.01    -0.06  -0.05   0.02     0.01   0.01  -0.02
     2   6     0.03   0.01  -0.04    -0.12   0.00   0.11     0.02   0.03  -0.05
     3   6    -0.02   0.04   0.07     0.06  -0.10   0.02     0.02  -0.03   0.09
     4   6    -0.04   0.09  -0.02    -0.07  -0.06  -0.03    -0.03  -0.07  -0.10
     5   6    -0.19  -0.16  -0.03    -0.04   0.02   0.02    -0.05   0.04   0.08
     6   6     0.01  -0.13   0.06     0.01  -0.01   0.00     0.01  -0.00   0.00
     7   8     0.09  -0.08   0.05     0.02  -0.01   0.01     0.01  -0.00   0.01
     8   6     0.01   0.00  -0.01     0.06  -0.02   0.08     0.03   0.01  -0.03
     9   6     0.01  -0.01  -0.04     0.02   0.15  -0.14    -0.07  -0.09   0.02
    10   6     0.02  -0.07   0.03     0.09   0.06  -0.01     0.02   0.13   0.01
    11   6     0.05   0.28  -0.08     0.02   0.01  -0.01     0.02  -0.01  -0.03
    12   1     0.02  -0.01   0.00     0.05   0.04  -0.18     0.07  -0.25   0.29
    13   1     0.02   0.04  -0.04    -0.05   0.30  -0.09     0.20  -0.01  -0.17
    14   1    -0.08  -0.04   0.07     0.01  -0.22   0.01    -0.10  -0.15   0.10
    15   1    -0.09  -0.20   0.02    -0.13  -0.21  -0.07    -0.02   0.10   0.05
    16   1    -0.01   0.07  -0.05    -0.05   0.35  -0.07     0.18   0.22  -0.22
    17   1     0.01   0.05   0.05    -0.02  -0.25  -0.26     0.01   0.08   0.09
    18   1    -0.01   0.01   0.03     0.04  -0.07  -0.18    -0.02  -0.02   0.03
    19   1    -0.03  -0.05  -0.02     0.15   0.29   0.12    -0.05  -0.11  -0.04
    20   1     0.06  -0.04   0.06    -0.09   0.03  -0.10     0.16  -0.10   0.15
    21   1    -0.00  -0.02   0.03     0.18  -0.04   0.03    -0.02  -0.04   0.09
    22   1    -0.08   0.01  -0.02     0.24  -0.07   0.06    -0.23   0.04  -0.04
    23   1     0.13   0.02  -0.10    -0.21  -0.01   0.05    -0.19   0.08   0.26
    24   1    -0.54  -0.09   0.03    -0.01  -0.04  -0.14     0.09  -0.15  -0.41
    25   1     0.12   0.27  -0.09    -0.00   0.05  -0.00     0.01   0.14  -0.00
    26   1     0.07   0.25  -0.11     0.01   0.06   0.00    -0.01   0.07   0.05
    27   1     0.15   0.38  -0.11    -0.02  -0.04   0.02    -0.06  -0.13   0.07
                     25                     26                     27
                      A                      A                      A
 Frequencies --    909.0954               941.9946               956.7925
 Red. masses --      2.1648                 2.2409                 1.5722
 Frc consts  --      1.0541                 1.1716                 0.8480
 IR Inten    --      0.8039                 4.1175                 0.4144
 RamAct Fr= 1--      5.6611                16.2026                 4.6342
  Dep-P Fr= 1--      0.6016                 0.3458                 0.5009
  Dep-U Fr= 1--      0.7512                 0.5139                 0.6675
 Alpha2 Fr= 1--      0.0155                 0.1442                 0.0228
 Beta2  Fr= 1--      0.7088                 1.3876                 0.5156
 AlphaG Fr= 1--      0.2817                 0.4090                -0.0009
 Gamma2 Fr= 1--      1.2174                -0.5966                 1.2391
 Delta2 Fr= 1--     -0.5797                -1.3388                 0.0701
 Raman1 Fr= 1--      22.645                 64.810                 18.537
 ROA1   Fr= 1--      98.323               -100.112                121.199
 CID1   Fr= 1--       4.342                 -1.545                  6.538
 Raman2 Fr= 1--       8.505                 16.652                  6.187
 ROA2   Fr= 1--      33.856                 -3.607                 29.179
 CID2   Fr= 1--       3.981                 -0.217                  4.716
 Raman3 Fr= 1--      17.011                 33.303                 12.374
 ROA3   Fr= 1--      98.323               -100.112                121.199
 CID3   Fr= 1--       5.780                 -3.006                  9.795
 RC180  Fr= 1--       0.502                  0.028                  0.335
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.05   0.03    -0.05   0.02  -0.02    -0.05   0.11   0.02
     2   6    -0.06  -0.01  -0.03    -0.06   0.07  -0.06    -0.06  -0.04  -0.06
     3   6     0.05  -0.08  -0.13    -0.08   0.10  -0.01    -0.01   0.01  -0.00
     4   6    -0.05   0.04   0.11     0.03   0.01  -0.01     0.01   0.00  -0.01
     5   6     0.01  -0.03  -0.09     0.02  -0.01   0.02     0.00   0.00   0.01
     6   6    -0.00  -0.01   0.00     0.01   0.03  -0.01    -0.00   0.00   0.00
     7   8     0.01  -0.00   0.00    -0.02   0.01  -0.01    -0.00  -0.00  -0.00
     8   6     0.06  -0.02   0.03     0.12   0.01   0.04     0.07  -0.09  -0.01
     9   6    -0.07  -0.09   0.01     0.05  -0.10  -0.14    -0.05   0.03   0.07
    10   6    -0.03   0.16   0.03    -0.05  -0.05   0.15     0.04  -0.06  -0.06
    11   6    -0.00   0.02   0.02     0.01  -0.03   0.01    -0.00  -0.00  -0.00
    12   1     0.08  -0.31   0.25     0.17  -0.48  -0.20    -0.05   0.06   0.10
    13   1     0.18  -0.02  -0.18    -0.00   0.13  -0.10    -0.06   0.17   0.08
    14   1     0.29  -0.32  -0.24    -0.12   0.05  -0.01    -0.01   0.06   0.01
    15   1    -0.03   0.20   0.18    -0.16  -0.18   0.12     0.09  -0.05  -0.19
    16   1     0.12   0.06  -0.05    -0.26   0.01   0.34     0.01  -0.02  -0.05
    17   1     0.04   0.06   0.05     0.10   0.05   0.06     0.25   0.19   0.21
    18   1     0.01   0.00   0.01    -0.03  -0.22  -0.15    -0.04  -0.35  -0.19
    19   1     0.04   0.07   0.06     0.09   0.06   0.09     0.21   0.15   0.25
    20   1     0.06  -0.01   0.03     0.15  -0.10   0.11     0.32   0.06   0.21
    21   1     0.04  -0.01   0.02     0.19  -0.10   0.15    -0.33   0.16  -0.12
    22   1     0.09  -0.02   0.05    -0.09  -0.02  -0.04     0.21   0.07   0.22
    23   1     0.00  -0.11  -0.29     0.16   0.01   0.07     0.02   0.01   0.03
    24   1    -0.14   0.14   0.34     0.11  -0.03  -0.01     0.02  -0.02  -0.04
    25   1    -0.01  -0.11   0.00    -0.04  -0.05   0.02     0.01   0.02  -0.00
    26   1     0.02  -0.02  -0.06    -0.00   0.03  -0.01    -0.00  -0.01   0.01
    27   1     0.05   0.13  -0.07    -0.04  -0.07   0.01     0.00  -0.01   0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --    981.5139               989.2125              1009.5456
 Red. masses --      1.8160                 1.5828                 1.4932
 Frc consts  --      1.0307                 0.9126                 0.8966
 IR Inten    --      0.0096                 3.7364                19.0275
 RamAct Fr= 1--      6.5417                11.1569                28.4746
  Dep-P Fr= 1--      0.2303                 0.4108                 0.3706
  Dep-U Fr= 1--      0.3743                 0.5824                 0.5408
 Alpha2 Fr= 1--      0.0819                 0.0795                 0.2335
 Beta2  Fr= 1--      0.4081                 1.0829                 2.5664
 AlphaG Fr= 1--      0.0017                 0.0000                 0.1526
 Gamma2 Fr= 1--     -1.4271                -1.4548                 1.5940
 Delta2 Fr= 1--      0.1733                -0.1134                 0.4257
 Raman1 Fr= 1--      26.167                 44.628                113.899
 ROA1   Fr= 1--    -131.453               -143.286                166.647
 CID1   Fr= 1--      -5.024                 -3.211                  1.463
 Raman2 Fr= 1--       4.897                 12.995                 30.797
 ROA2   Fr= 1--     -35.636                -34.007                 34.851
 CID2   Fr= 1--      -7.276                 -2.617                  1.132
 Raman3 Fr= 1--       9.795                 25.989                 61.594
 ROA3   Fr= 1--    -131.453               -143.286                166.647
 CID3   Fr= 1--     -13.421                 -5.513                  2.706
 RC180  Fr= 1--      -0.251                  0.165                  0.082
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03  -0.03     0.06  -0.00   0.10     0.00   0.02  -0.06
     2   6    -0.06   0.07  -0.00     0.02  -0.09  -0.02    -0.01   0.03   0.00
     3   6    -0.03  -0.02  -0.04    -0.01   0.05  -0.05     0.02   0.02  -0.01
     4   6     0.04   0.03   0.00    -0.02  -0.00   0.01     0.01   0.02  -0.01
     5   6     0.03  -0.00  -0.00    -0.03  -0.03  -0.01    -0.07  -0.07   0.01
     6   6    -0.01  -0.01   0.00     0.02   0.03  -0.01     0.02   0.05  -0.01
     7   8    -0.00  -0.01   0.00    -0.02   0.02  -0.01    -0.03   0.04  -0.02
     8   6     0.07   0.08   0.06     0.00  -0.01  -0.06    -0.02  -0.00   0.06
     9   6    -0.10   0.00   0.11    -0.07   0.02  -0.01    -0.01  -0.01   0.02
    10   6     0.07  -0.09  -0.08     0.05  -0.03   0.02     0.02  -0.03  -0.01
    11   6    -0.03   0.01  -0.01     0.05  -0.03   0.03     0.11  -0.04   0.04
    12   1    -0.03  -0.10   0.26     0.02  -0.09   0.19    -0.04   0.11   0.07
    13   1    -0.05   0.33   0.08     0.01   0.39  -0.07     0.03  -0.14  -0.01
    14   1    -0.00  -0.06  -0.06    -0.08   0.10  -0.02     0.02  -0.13  -0.04
    15   1     0.14  -0.10  -0.37    -0.03  -0.16  -0.09    -0.08  -0.12   0.07
    16   1    -0.00  -0.02  -0.06    -0.06   0.13   0.03     0.09   0.07  -0.16
    17   1    -0.04  -0.01  -0.01    -0.17  -0.20  -0.24     0.07   0.17   0.18
    18   1    -0.02  -0.03  -0.01     0.13   0.43   0.14    -0.08  -0.15   0.02
    19   1    -0.04  -0.06  -0.04    -0.02   0.19  -0.04    -0.05  -0.19  -0.04
    20   1    -0.13  -0.16  -0.07     0.18  -0.07   0.15    -0.21   0.08  -0.18
    21   1     0.48  -0.24   0.26    -0.17   0.01   0.02     0.15  -0.00  -0.05
    22   1    -0.24  -0.08  -0.20    -0.19   0.05  -0.02     0.22  -0.07   0.02
    23   1     0.07   0.04   0.06     0.10  -0.02   0.04     0.14   0.00   0.04
    24   1     0.01   0.03   0.09     0.03  -0.01   0.08    -0.05  -0.07   0.02
    25   1     0.06   0.05  -0.02    -0.14  -0.15   0.04    -0.26  -0.24   0.08
    26   1    -0.02  -0.11   0.04     0.03   0.24  -0.09     0.06   0.47  -0.17
    27   1     0.05   0.06   0.00    -0.13  -0.15  -0.01    -0.23  -0.27  -0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1025.2014              1030.8106              1051.2846
 Red. masses --      1.1338                 1.5412                 1.8556
 Frc consts  --      0.7021                 0.9649                 1.2083
 IR Inten    --     29.8890                 0.9688                 0.6103
 RamAct Fr= 1--      2.5682                 5.3513                 1.1201
  Dep-P Fr= 1--      0.3181                 0.4269                 0.5994
  Dep-U Fr= 1--      0.4827                 0.5983                 0.7495
 Alpha2 Fr= 1--      0.0249                 0.0359                 0.0031
 Beta2  Fr= 1--      0.2066                 0.5337                 0.1399
 AlphaG Fr= 1--      0.5462                 0.0228                 0.0223
 Gamma2 Fr= 1--      1.3839                 2.7283                 0.2334
 Delta2 Fr= 1--      0.2214                 2.3776                 0.0387
 Raman1 Fr= 1--      10.273                 21.405                  4.480
 ROA1   Fr= 1--     139.934                338.002                 23.644
 CID1   Fr= 1--      13.622                 15.791                  5.277
 Raman2 Fr= 1--       2.479                  6.404                  1.679
 ROA2   Fr= 1--      31.442                 46.460                  5.292
 CID2   Fr= 1--      12.682                  7.255                  3.152
 Raman3 Fr= 1--       4.959                 12.808                  3.358
 ROA3   Fr= 1--     139.934                338.002                 23.644
 CID3   Fr= 1--      28.220                 26.390                  7.040
 RC180  Fr= 1--      -0.035                  0.197                  0.499
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.00     0.10   0.04  -0.02     0.00   0.00   0.00
     2   6     0.00  -0.01  -0.00    -0.02  -0.05  -0.03    -0.00  -0.00  -0.00
     3   6    -0.01  -0.00   0.01    -0.08   0.03   0.01     0.00   0.00  -0.00
     4   6     0.03  -0.02  -0.06     0.02   0.00   0.00    -0.02   0.01   0.04
     5   6     0.02  -0.02  -0.05     0.05   0.02   0.02     0.01  -0.02  -0.06
     6   6    -0.01   0.01   0.03     0.00  -0.00  -0.00    -0.05   0.07   0.19
     7   8     0.00  -0.00  -0.01     0.01  -0.02   0.01     0.01  -0.01  -0.03
     8   6    -0.01  -0.01   0.00    -0.03  -0.06   0.07    -0.00   0.00   0.00
     9   6    -0.00   0.00  -0.02    -0.05   0.01  -0.06     0.00  -0.00   0.00
    10   6     0.00   0.02   0.01     0.04  -0.00   0.03    -0.00  -0.00   0.00
    11   6    -0.00  -0.01  -0.02    -0.05   0.00  -0.01     0.04  -0.05  -0.14
    12   1     0.01  -0.01   0.00     0.03  -0.09   0.08    -0.00   0.00  -0.00
    13   1     0.02  -0.00  -0.03     0.04   0.23  -0.12    -0.00   0.00   0.00
    14   1    -0.10  -0.07   0.02    -0.10  -0.14  -0.02     0.05   0.03  -0.01
    15   1    -0.01   0.00   0.00    -0.06  -0.13  -0.05     0.00  -0.00   0.00
    16   1     0.01   0.04  -0.01    -0.02   0.19  -0.04    -0.00  -0.01   0.01
    17   1    -0.00   0.02   0.02    -0.06   0.20   0.18    -0.00   0.00   0.00
    18   1    -0.01   0.00   0.02    -0.02   0.20   0.26     0.00   0.01   0.00
    19   1    -0.01  -0.02  -0.01    -0.18  -0.29  -0.18    -0.01  -0.01  -0.00
    20   1    -0.01   0.02  -0.01    -0.19   0.14  -0.18    -0.01  -0.00  -0.01
    21   1    -0.03   0.02  -0.03     0.01   0.08  -0.15     0.01  -0.00   0.00
    22   1     0.06  -0.00   0.03     0.40  -0.07   0.12     0.00  -0.00  -0.00
    23   1    -0.14   0.24   0.63     0.10  -0.03  -0.07     0.06  -0.11  -0.29
    24   1    -0.14   0.23   0.62     0.15  -0.04  -0.11    -0.00  -0.01  -0.02
    25   1     0.02   0.09  -0.01     0.11   0.08  -0.03     0.06   0.59  -0.05
    26   1    -0.02  -0.01   0.06    -0.03  -0.22   0.07    -0.08   0.12   0.29
    27   1    -0.01  -0.05   0.05     0.10   0.10   0.01    -0.14  -0.49   0.31
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1101.6406              1107.1323              1165.0677
 Red. masses --      1.8477                 1.3105                 1.7181
 Frc consts  --      1.3212                 0.9464                 1.3741
 IR Inten    --     20.0483                 8.8172                 3.0031
 RamAct Fr= 1--     62.2478                 5.4688                43.0013
  Dep-P Fr= 1--      0.2357                 0.5961                 0.4273
  Dep-U Fr= 1--      0.3814                 0.7469                 0.5988
 Alpha2 Fr= 1--      0.7677                 0.0156                 0.2881
 Beta2  Fr= 1--      3.9572                 0.6808                 4.2913
 AlphaG Fr= 1--      0.6777                 0.0869                 1.1106
 Gamma2 Fr= 1--      4.9488                 5.2726                 9.5820
 Delta2 Fr= 1--      2.1136                -0.3482                 1.9813
 Raman1 Fr= 1--     248.991                 21.875                172.005
 ROA1   Fr= 1--     542.724                495.026                983.271
 CID1   Fr= 1--       2.180                 22.629                  5.717
 Raman2 Fr= 1--      47.487                  8.170                 51.495
 ROA2   Fr= 1--     101.863                129.328                214.116
 CID2   Fr= 1--       2.145                 15.830                  4.158
 Raman3 Fr= 1--      94.973                 16.339                102.991
 ROA3   Fr= 1--     542.724                495.026                983.271
 CID3   Fr= 1--       5.714                 30.297                  9.547
 RC180  Fr= 1--      -0.237                  0.494                  0.198
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.04    -0.04  -0.01   0.02    -0.02  -0.02   0.07
     2   6     0.01   0.00   0.04     0.04   0.01  -0.00     0.03   0.02  -0.14
     3   6     0.13   0.09  -0.09    -0.08   0.06  -0.05     0.01   0.11   0.05
     4   6    -0.11  -0.10   0.00    -0.03   0.01   0.02    -0.02  -0.07  -0.05
     5   6    -0.01   0.05  -0.03     0.02   0.00  -0.00    -0.03   0.04  -0.00
     6   6     0.01  -0.01  -0.00     0.02   0.02  -0.00    -0.00  -0.00   0.01
     7   8     0.02  -0.02   0.01     0.00  -0.01   0.01     0.01  -0.00   0.00
     8   6    -0.02   0.01   0.01     0.00   0.01  -0.02    -0.02  -0.01   0.07
     9   6    -0.04  -0.02   0.03     0.01  -0.02   0.01    -0.00  -0.06   0.01
    10   6     0.06  -0.06   0.04     0.06  -0.02   0.04    -0.03  -0.03   0.03
    11   6    -0.03   0.01  -0.01    -0.04  -0.01  -0.01    -0.00   0.00  -0.00
    12   1    -0.00  -0.04   0.14    -0.11   0.40   0.10    -0.06   0.17   0.07
    13   1     0.02   0.01  -0.02     0.09  -0.34  -0.05    -0.01   0.07   0.02
    14   1     0.11   0.68   0.02    -0.19  -0.37  -0.10     0.67  -0.16  -0.19
    15   1    -0.25  -0.32   0.29    -0.15  -0.24   0.09     0.13   0.09  -0.15
    16   1     0.03   0.13  -0.06     0.15   0.30  -0.29     0.00  -0.06   0.02
    17   1     0.05   0.11   0.11     0.04  -0.10  -0.09    -0.01  -0.16  -0.16
    18   1    -0.05  -0.12  -0.00     0.02  -0.07  -0.12     0.09   0.10  -0.08
    19   1    -0.02  -0.12  -0.01     0.08   0.14   0.09     0.06   0.24   0.05
    20   1    -0.07   0.01  -0.04     0.04  -0.03   0.03    -0.16   0.09  -0.13
    21   1     0.03  -0.01   0.01    -0.01  -0.01   0.02     0.15   0.02  -0.08
    22   1    -0.01  -0.01  -0.02    -0.09   0.02  -0.03     0.22  -0.09   0.00
    23   1    -0.22  -0.06   0.04     0.18  -0.04   0.00    -0.15   0.00   0.08
    24   1     0.02   0.08   0.08     0.18  -0.01   0.06    -0.06   0.02  -0.07
    25   1     0.06   0.04  -0.02     0.06   0.03  -0.02     0.01   0.02  -0.00
    26   1    -0.01  -0.12   0.03    -0.02  -0.14   0.05    -0.00  -0.02   0.01
    27   1     0.05   0.07  -0.00     0.05   0.04   0.02     0.01   0.01   0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1200.9199              1226.9958              1244.1068
 Red. masses --      1.6998                 1.4768                 1.9045
 Frc consts  --      1.4443                 1.3099                 1.7367
 IR Inten    --      3.1661                 8.7545                 2.7028
 RamAct Fr= 1--      4.8091                12.0342                10.1078
  Dep-P Fr= 1--      0.7482                 0.6015                 0.2726
  Dep-U Fr= 1--      0.8559                 0.7512                 0.4285
 Alpha2 Fr= 1--      0.0001                 0.0331                 0.1123
 Beta2  Fr= 1--      0.6860                 1.5066                 0.7218
 AlphaG Fr= 1--     -0.0035                 0.0479                 0.1297
 Gamma2 Fr= 1--      1.3839                 2.5831                 0.7989
 Delta2 Fr= 1--      0.8763                 0.2850                 0.4562
 Raman1 Fr= 1--      19.236                 48.137                 40.431
 ROA1   Fr= 1--     160.895                257.098                 91.294
 CID1   Fr= 1--       8.364                  5.341                  2.258
 Raman2 Fr= 1--       8.233                 18.079                  8.662
 ROA2   Fr= 1--      26.204                 59.715                 15.525
 CID2   Fr= 1--       3.183                  3.303                  1.792
 Raman3 Fr= 1--      16.465                 36.159                 17.323
 ROA3   Fr= 1--     160.895                257.098                 91.294
 CID3   Fr= 1--       9.772                  7.110                  5.270
 RC180  Fr= 1--       0.712                  0.502                 -0.143
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.02   0.01     0.03   0.02  -0.05     0.01  -0.07  -0.00
     2   6     0.15  -0.02  -0.05    -0.07  -0.03   0.11     0.03   0.21   0.04
     3   6     0.02  -0.08  -0.01     0.02   0.03  -0.01     0.01  -0.01  -0.03
     4   6     0.01   0.03   0.03     0.00  -0.01  -0.01    -0.01   0.00   0.00
     5   6     0.01  -0.01   0.00     0.00   0.01  -0.00     0.00   0.01  -0.00
     6   6    -0.01  -0.01  -0.00    -0.03  -0.03   0.00    -0.02  -0.02   0.00
     7   8    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     8   6    -0.06   0.02   0.05     0.03   0.01  -0.04    -0.01  -0.09  -0.02
     9   6    -0.06  -0.05  -0.06    -0.02  -0.05  -0.09    -0.08   0.07   0.01
    10   6     0.01   0.04   0.08     0.02   0.01   0.07     0.03  -0.06   0.05
    11   6     0.01   0.00   0.00     0.01   0.01   0.00     0.01   0.00   0.00
    12   1    -0.05   0.14   0.18    -0.14   0.55   0.19     0.09  -0.37   0.10
    13   1     0.09   0.10  -0.16     0.08  -0.08  -0.16     0.16  -0.48  -0.18
    14   1    -0.42   0.35   0.19     0.25  -0.08  -0.09     0.04   0.02  -0.03
    15   1     0.19   0.12  -0.37     0.21   0.08  -0.38     0.16  -0.04  -0.36
    16   1    -0.07   0.09   0.14    -0.19  -0.00   0.31    -0.06   0.01   0.09
    17   1     0.15  -0.03  -0.01    -0.02   0.14   0.12    -0.13  -0.16  -0.16
    18   1     0.00  -0.15  -0.18    -0.07  -0.05   0.11     0.03   0.03  -0.02
    19   1     0.13   0.14   0.15    -0.04  -0.17  -0.05    -0.10  -0.05  -0.12
    20   1    -0.25   0.07  -0.18     0.10  -0.07   0.09     0.13   0.17   0.05
    21   1     0.11   0.02  -0.07    -0.07  -0.03   0.09    -0.22   0.11  -0.15
    22   1     0.08  -0.08  -0.06    -0.15   0.06  -0.01     0.17   0.07   0.19
    23   1    -0.02   0.00  -0.07    -0.05   0.01   0.01     0.04  -0.01   0.00
    24   1     0.00  -0.01   0.01     0.01   0.01  -0.01     0.06   0.01   0.02
    25   1    -0.01  -0.01   0.00    -0.02   0.01   0.01    -0.01   0.01   0.00
    26   1     0.00   0.02  -0.01     0.01   0.06  -0.02     0.00   0.04  -0.01
    27   1    -0.01  -0.00  -0.01    -0.01   0.00  -0.02    -0.00   0.01  -0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1269.7344              1277.9738              1286.1527
 Red. masses --      1.6016                 2.9338                 1.6943
 Frc consts  --      1.5214                 2.8231                 1.6513
 IR Inten    --     40.6148               112.5049                11.6195
 RamAct Fr= 1--     50.1035                 8.7806                 4.1881
  Dep-P Fr= 1--      0.2385                 0.3245                 0.6522
  Dep-U Fr= 1--      0.3852                 0.4900                 0.7895
 Alpha2 Fr= 1--      0.6131                 0.0836                 0.0073
 Beta2  Fr= 1--      3.2166                 0.7171                 0.5511
 AlphaG Fr= 1--      0.2665                -0.0265                -0.0004
 Gamma2 Fr= 1--     10.5942                -1.5077                 0.3982
 Delta2 Fr= 1--      5.5508                -0.6217                -0.8168
 Raman1 Fr= 1--     200.414                 35.123                 16.753
 ROA1   Fr= 1--    1194.670               -164.632                 12.091
 CID1   Fr= 1--       5.961                 -4.687                  0.722
 Raman2 Fr= 1--      38.599                  8.606                  6.613
 ROA2   Fr= 1--     209.855                -31.211                 16.092
 CID2   Fr= 1--       5.437                 -3.627                  2.433
 Raman3 Fr= 1--      77.198                 17.211                 13.226
 ROA3   Fr= 1--    1194.670               -164.632                 12.091
 CID3   Fr= 1--      15.475                 -9.565                  0.914
 RC180  Fr= 1--      -0.230                 -0.020                  0.579
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.00    -0.00   0.01  -0.03    -0.04   0.04  -0.02
     2   6     0.08  -0.04   0.02     0.03  -0.01   0.08     0.10  -0.11   0.06
     3   6    -0.05   0.02   0.03     0.11   0.02   0.00     0.02   0.05   0.02
     4   6     0.03  -0.02   0.00    -0.07   0.03  -0.02    -0.05   0.02  -0.03
     5   6    -0.01  -0.02   0.01    -0.16  -0.08  -0.02    -0.03   0.04  -0.02
     6   6     0.08   0.07  -0.01     0.22   0.21  -0.02    -0.07  -0.07   0.01
     7   8    -0.02  -0.01  -0.00    -0.00  -0.05   0.02     0.03  -0.00   0.01
     8   6    -0.02   0.01  -0.00    -0.01  -0.00  -0.02    -0.03   0.04  -0.01
     9   6    -0.07   0.04   0.00     0.01   0.01  -0.02    -0.04   0.08  -0.00
    10   6     0.10   0.04  -0.09    -0.09  -0.04   0.05    -0.02  -0.03  -0.02
    11   6    -0.02  -0.01  -0.00    -0.09  -0.02  -0.01     0.01   0.00   0.00
    12   1     0.01  -0.11   0.11     0.06  -0.14  -0.05     0.11  -0.38  -0.07
    13   1     0.13  -0.21  -0.15    -0.08   0.23   0.05     0.04  -0.04  -0.06
    14   1     0.15  -0.17  -0.06     0.01  -0.19  -0.01     0.19  -0.29  -0.09
    15   1    -0.17  -0.17   0.23     0.26   0.24  -0.32     0.08   0.08  -0.02
    16   1    -0.36  -0.17   0.55     0.13  -0.05  -0.19    -0.08  -0.02   0.05
    17   1     0.08  -0.01  -0.01     0.02   0.04   0.04     0.14   0.04   0.04
    18   1    -0.02  -0.09  -0.07    -0.04  -0.08   0.01    -0.05  -0.15  -0.06
    19   1     0.05  -0.00   0.07    -0.01  -0.10   0.00     0.08  -0.06   0.11
    20   1    -0.05  -0.01  -0.03    -0.00   0.00  -0.00    -0.08  -0.06  -0.03
    21   1     0.01   0.00  -0.01    -0.07   0.01   0.00     0.02  -0.02   0.03
    22   1    -0.03  -0.02  -0.04    -0.05   0.02   0.01    -0.08  -0.02  -0.09
    23   1    -0.07  -0.00  -0.02     0.28  -0.02   0.07     0.20  -0.01   0.06
    24   1    -0.36  -0.01  -0.11     0.03  -0.09   0.04     0.64  -0.01   0.16
    25   1     0.03  -0.06  -0.02     0.13  -0.15  -0.05    -0.00   0.09   0.01
    26   1    -0.01  -0.16   0.06    -0.05  -0.44   0.16     0.00   0.16  -0.06
    27   1     0.01  -0.04   0.06     0.06  -0.06   0.18     0.02   0.06  -0.06
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1295.6756              1298.8084              1348.3133
 Red. masses --      1.6230                 1.7456                 1.3538
 Frc consts  --      1.6053                 1.7349                 1.4501
 IR Inten    --      1.9368                 0.8701                 0.1408
 RamAct Fr= 1--     24.5154                 7.5011                15.9614
  Dep-P Fr= 1--      0.1960                 0.2539                 0.2435
  Dep-U Fr= 1--      0.3277                 0.4050                 0.3916
 Alpha2 Fr= 1--      0.3365                 0.0879                 0.1926
 Beta2  Fr= 1--      1.3391                 0.5063                 1.0419
 AlphaG Fr= 1--     -0.1072                 0.0762                -0.1078
 Gamma2 Fr= 1--     -2.8314                -4.1680                 2.2266
 Delta2 Fr= 1--     -0.1239                -1.2835                 0.5116
 Raman1 Fr= 1--      98.062                 30.004                 63.845
 ROA1   Fr= 1--    -275.778               -441.196                230.119
 CID1   Fr= 1--      -2.812                -14.704                  3.604
 Raman2 Fr= 1--      16.069                  6.076                 12.502
 ROA2   Fr= 1--     -66.963                -89.763                 49.345
 CID2   Fr= 1--      -4.167                -14.773                  3.947
 Raman3 Fr= 1--      32.139                 12.152                 25.005
 ROA3   Fr= 1--    -275.778               -441.196                230.119
 CID3   Fr= 1--      -8.581                -36.305                  9.203
 RC180  Fr= 1--      -0.345                 -0.190                 -0.217
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.04  -0.01     0.03   0.00   0.04     0.01   0.00   0.01
     2   6     0.03   0.13   0.03    -0.13  -0.04  -0.13    -0.03  -0.00  -0.03
     3   6     0.05  -0.00   0.02     0.04  -0.05   0.04     0.04  -0.03   0.02
     4   6    -0.04   0.04  -0.01    -0.03   0.06  -0.04    -0.03  -0.08   0.03
     5   6    -0.03  -0.01  -0.01    -0.07  -0.04   0.00    -0.03   0.12  -0.05
     6   6    -0.01  -0.01  -0.00     0.03   0.03  -0.00    -0.01  -0.02   0.00
     7   8     0.02  -0.01   0.01     0.01  -0.02   0.01     0.01   0.00   0.00
     8   6    -0.01  -0.05   0.00     0.03   0.02   0.03     0.00   0.00   0.01
     9   6     0.00  -0.12  -0.00     0.00   0.03   0.03     0.00  -0.00   0.00
    10   6     0.02   0.03  -0.09     0.03   0.02  -0.02     0.00   0.01  -0.02
    11   6    -0.00  -0.00   0.00    -0.02  -0.01  -0.00    -0.01  -0.02   0.01
    12   1    -0.09   0.25   0.14    -0.05   0.14  -0.02    -0.02   0.05  -0.00
    13   1    -0.13   0.46   0.11     0.14  -0.51  -0.09     0.02  -0.05  -0.01
    14   1    -0.16  -0.18   0.04    -0.04   0.29   0.12    -0.14  -0.01   0.08
    15   1    -0.15  -0.05   0.27     0.00   0.00   0.03     0.01   0.03  -0.01
    16   1    -0.19  -0.17   0.29    -0.17  -0.02   0.24    -0.05  -0.06   0.10
    17   1    -0.04  -0.06  -0.06    -0.08   0.02   0.02    -0.01  -0.00  -0.00
    18   1     0.02   0.00  -0.03     0.05   0.17   0.08     0.01   0.03   0.02
    19   1    -0.04  -0.01  -0.05    -0.01   0.12  -0.04    -0.01   0.01  -0.01
    20   1     0.02   0.13  -0.03     0.01  -0.06   0.03    -0.00  -0.01   0.00
    21   1    -0.11   0.07  -0.10     0.16  -0.06   0.06     0.03  -0.01   0.01
    22   1     0.05   0.03   0.10     0.07  -0.05  -0.04     0.03  -0.01  -0.00
    23   1     0.08   0.01  -0.01     0.07   0.06   0.01     0.81  -0.19   0.28
    24   1     0.45  -0.04   0.14     0.52  -0.09   0.17    -0.27   0.14  -0.13
    25   1     0.02   0.03  -0.00     0.04  -0.01  -0.01     0.04   0.08   0.01
    26   1    -0.01   0.03  -0.01    -0.01  -0.06   0.02    -0.02   0.11  -0.05
    27   1     0.02   0.03  -0.01     0.03   0.00   0.03     0.05   0.06  -0.04
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1371.8225              1389.3007              1405.2518
 Red. masses --      1.5938                 1.3595                 1.2870
 Frc consts  --      1.7671                 1.5460                 1.4974
 IR Inten    --      1.3943                44.5455                 9.7517
 RamAct Fr= 1--     23.3329                 1.0725                 2.4634
  Dep-P Fr= 1--      0.2897                 0.7355                 0.4917
  Dep-U Fr= 1--      0.4493                 0.8476                 0.6593
 Alpha2 Fr= 1--      0.2467                 0.0003                 0.0126
 Beta2  Fr= 1--      1.7473                 0.1515                 0.2707
 AlphaG Fr= 1--      0.1932                 0.0009                 0.0119
 Gamma2 Fr= 1--      0.8468                 0.4548                -0.0342
 Delta2 Fr= 1--     -0.0878                -0.0792                -0.0880
 Raman1 Fr= 1--      93.332                  4.290                  9.854
 ROA1   Fr= 1--      78.487                 41.130                 -6.095
 CID1   Fr= 1--       0.841                  9.587                 -0.619
 Raman2 Fr= 1--      20.968                  1.818                  3.248
 ROA2   Fr= 1--      21.027                 11.549                 -0.115
 CID2   Fr= 1--       1.003                  6.352                 -0.036
 Raman3 Fr= 1--      41.935                  3.636                  6.496
 ROA3   Fr= 1--      78.487                 41.130                 -6.095
 CID3   Fr= 1--       1.872                 11.311                 -0.938
 RC180  Fr= 1--      -0.101                  0.695                  0.319
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.00     0.00   0.00   0.00    -0.04  -0.08  -0.06
     2   6     0.04   0.03   0.04     0.00  -0.00   0.00     0.03   0.02   0.03
     3   6    -0.15  -0.13   0.01    -0.00   0.00  -0.00    -0.02  -0.02  -0.00
     4   6     0.03   0.04  -0.04     0.01   0.01  -0.00     0.00   0.01  -0.00
     5   6    -0.04  -0.00  -0.01    -0.01  -0.03   0.01    -0.01  -0.00  -0.00
     6   6     0.02   0.02   0.00     0.05   0.05  -0.01     0.00   0.00  -0.00
     7   8     0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.00  -0.00   0.00
     8   6     0.01  -0.01  -0.01     0.00  -0.00  -0.00    -0.09   0.02  -0.05
     9   6     0.00  -0.02  -0.01     0.00   0.00  -0.00    -0.00  -0.01  -0.01
    10   6     0.03   0.03   0.02    -0.00   0.00   0.00     0.00   0.01   0.00
    11   6    -0.01  -0.00  -0.00    -0.04  -0.15   0.04    -0.00  -0.00   0.00
    12   1    -0.01   0.05  -0.01     0.00  -0.00   0.00     0.01  -0.02   0.02
    13   1    -0.00   0.13  -0.01    -0.00   0.00  -0.00    -0.01   0.06  -0.00
    14   1     0.64   0.48  -0.09     0.02   0.01  -0.01     0.09   0.04  -0.02
    15   1    -0.07  -0.04   0.13    -0.00  -0.01  -0.01    -0.02  -0.03  -0.00
    16   1     0.06   0.18  -0.13     0.02  -0.00  -0.01     0.02   0.00  -0.01
    17   1     0.01  -0.05  -0.07    -0.00   0.00  -0.00     0.10   0.19   0.34
    18   1    -0.00  -0.10  -0.06     0.00  -0.01  -0.01    -0.04   0.36   0.16
    19   1    -0.04  -0.07  -0.01    -0.01  -0.00  -0.01     0.27   0.30   0.13
    20   1    -0.01   0.04  -0.04    -0.00   0.00  -0.00     0.25  -0.04   0.31
    21   1    -0.08   0.05  -0.03    -0.01   0.00  -0.00     0.30  -0.22   0.09
    22   1    -0.10   0.02   0.00    -0.01   0.00  -0.00     0.38   0.05   0.10
    23   1     0.34   0.03   0.11    -0.13   0.03  -0.04     0.04   0.00   0.01
    24   1     0.13  -0.02   0.03    -0.06  -0.03  -0.00     0.02  -0.00   0.00
    25   1     0.03  -0.02  -0.01     0.15   0.57   0.09     0.01   0.00  -0.00
    26   1    -0.01   0.00   0.00    -0.08   0.44  -0.19    -0.00   0.01  -0.00
    27   1     0.02  -0.01   0.04     0.27   0.40  -0.34     0.01   0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1421.7852              1471.4746              1480.2533
 Red. masses --      1.2293                 1.0565                 1.0472
 Frc consts  --      1.4641                 1.3478                 1.3519
 IR Inten    --      3.1354                 9.9414                 9.7098
 RamAct Fr= 1--      0.7867                 4.5601                 5.0258
  Dep-P Fr= 1--      0.7290                 0.7400                 0.7494
  Dep-U Fr= 1--      0.8433                 0.8506                 0.8567
 Alpha2 Fr= 1--      0.0003                 0.0008                 0.0001
 Beta2  Fr= 1--      0.1106                 0.6465                 0.7176
 AlphaG Fr= 1--     -0.0031                -0.0037                -0.0023
 Gamma2 Fr= 1--      0.0374                 0.9157                 0.9646
 Delta2 Fr= 1--     -0.1110                 0.4874                 1.0822
 Raman1 Fr= 1--       3.147                 18.240                 20.103
 ROA1   Fr= 1--       0.040                103.501                127.230
 CID1   Fr= 1--       0.013                  5.674                  6.329
 Raman2 Fr= 1--       1.327                  7.758                  8.611
 ROA2   Fr= 1--       1.786                 18.077                 14.492
 CID2   Fr= 1--       1.346                  2.330                  1.683
 Raman3 Fr= 1--       2.654                 15.515                 17.223
 ROA3   Fr= 1--       0.040                103.501                127.230
 CID3   Fr= 1--       0.015                  6.671                  7.387
 RC180  Fr= 1--       0.687                  0.701                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.08   0.05    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6     0.00  -0.01  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00     0.00   0.01  -0.00     0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00     0.01  -0.00   0.00    -0.00   0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.02   0.01     0.00  -0.01  -0.02
     7   8    -0.00   0.00  -0.00    -0.02   0.02  -0.01     0.00  -0.00   0.00
     8   6    -0.09   0.03  -0.04     0.00  -0.00  -0.00     0.00   0.00  -0.00
     9   6     0.01  -0.01  -0.01     0.00   0.00   0.00    -0.00   0.00   0.00
    10   6    -0.00   0.01   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6    -0.00  -0.00  -0.00    -0.05  -0.00  -0.01     0.02  -0.02  -0.05
    12   1     0.01   0.03   0.06     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   1    -0.05   0.02   0.04    -0.00  -0.00   0.00     0.00   0.00  -0.00
    14   1    -0.02   0.01   0.01    -0.01  -0.01  -0.00    -0.00  -0.00   0.00
    15   1    -0.02  -0.01  -0.01    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00
    16   1     0.02  -0.02   0.00     0.00  -0.01  -0.00     0.00  -0.00   0.00
    17   1    -0.05  -0.19  -0.34     0.02  -0.00   0.00     0.04   0.00   0.02
    18   1     0.03  -0.34  -0.16     0.01   0.02  -0.01     0.03   0.03  -0.04
    19   1    -0.24  -0.32  -0.09    -0.00  -0.01  -0.00    -0.03  -0.01  -0.02
    20   1     0.24  -0.11   0.33    -0.01  -0.00  -0.01    -0.02  -0.01  -0.02
    21   1     0.31  -0.23   0.10    -0.01  -0.00   0.01    -0.02  -0.02   0.03
    22   1     0.42   0.01   0.05    -0.00   0.00   0.01     0.01   0.02   0.02
    23   1    -0.01   0.01  -0.00    -0.05   0.00  -0.01     0.00  -0.00  -0.01
    24   1     0.01  -0.00   0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
    25   1     0.00  -0.00  -0.00     0.51  -0.33  -0.14    -0.46  -0.18   0.02
    26   1    -0.00   0.00  -0.00    -0.07   0.40  -0.15    -0.17   0.24   0.66
    27   1     0.00  -0.00   0.00     0.36  -0.06   0.53     0.40   0.23   0.07
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1484.0101              1487.3344              1493.6611
 Red. masses --      1.0685                 1.0465                 1.0646
 Frc consts  --      1.3865                 1.3640                 1.3994
 IR Inten    --      0.5633                 0.8839                 8.2058
 RamAct Fr= 1--      4.2915                 9.9273                 4.8510
  Dep-P Fr= 1--      0.7080                 0.7323                 0.6331
  Dep-U Fr= 1--      0.8291                 0.8455                 0.7753
 Alpha2 Fr= 1--      0.0031                 0.0030                 0.0103
 Beta2  Fr= 1--      0.5930                 1.3989                 0.6269
 AlphaG Fr= 1--      0.0105                 0.0047                 0.0130
 Gamma2 Fr= 1--     -1.6433                -1.1921                 1.1374
 Delta2 Fr= 1--     -1.7404                -0.2636                 0.1870
 Raman1 Fr= 1--      17.166                 39.709                 19.404
 ROA1   Fr= 1--    -213.446               -122.876                115.180
 CID1   Fr= 1--     -12.434                 -3.094                  5.936
 Raman2 Fr= 1--       7.116                 16.787                  7.522
 ROA2   Fr= 1--     -25.515                -26.501                 25.803
 CID2   Fr= 1--      -3.586                 -1.579                  3.430
 Raman3 Fr= 1--      14.232                 33.574                 15.045
 ROA3   Fr= 1--    -213.446               -122.876                115.180
 CID3   Fr= 1--     -14.998                 -3.660                  7.656
 RC180  Fr= 1--       0.658                  0.691                  0.551
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02   0.01    -0.02  -0.01   0.03    -0.02   0.02  -0.01
     2   6     0.01   0.01   0.00    -0.00  -0.00  -0.00    -0.02  -0.00  -0.02
     3   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     7   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6     0.01   0.03  -0.00     0.02   0.00  -0.04     0.01  -0.03  -0.01
     9   6     0.01   0.01  -0.05    -0.00  -0.00   0.01     0.02   0.01  -0.04
    10   6     0.00  -0.03  -0.01    -0.00   0.01   0.00     0.00  -0.02  -0.01
    11   6    -0.00   0.00   0.00     0.00   0.00   0.01     0.00  -0.00   0.00
    12   1     0.15  -0.06   0.41    -0.03   0.01  -0.08     0.12  -0.02   0.33
    13   1    -0.35  -0.14   0.23     0.07   0.03  -0.05    -0.29  -0.15   0.20
    14   1     0.01   0.00  -0.00     0.01   0.00   0.00    -0.02   0.01   0.01
    15   1     0.13   0.18   0.16    -0.04  -0.06  -0.06     0.11   0.15   0.13
    16   1    -0.16   0.23  -0.01     0.05  -0.08   0.01    -0.13   0.19  -0.01
    17   1    -0.18   0.12   0.16     0.33   0.01   0.12     0.27  -0.15  -0.18
    18   1     0.06  -0.11  -0.14     0.22   0.21  -0.34    -0.06   0.20   0.17
    19   1    -0.11   0.25  -0.19    -0.21  -0.06  -0.16     0.15  -0.30   0.25
    20   1    -0.11  -0.33   0.00    -0.20  -0.10  -0.21     0.01   0.29  -0.11
    21   1    -0.22   0.04   0.10    -0.20  -0.22   0.43     0.13  -0.12   0.08
    22   1     0.19  -0.09  -0.10     0.11   0.26   0.32    -0.15   0.19   0.22
    23   1     0.00  -0.00   0.00     0.00   0.00   0.01    -0.01   0.00   0.00
    24   1    -0.02   0.00  -0.01     0.01  -0.00   0.00    -0.02   0.00  -0.01
    25   1     0.01   0.00  -0.00     0.03   0.03   0.00    -0.00   0.01   0.00
    26   1     0.00  -0.00  -0.01     0.02  -0.04  -0.06     0.00  -0.00   0.00
    27   1    -0.00  -0.00   0.00    -0.05  -0.02  -0.02    -0.00   0.00  -0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1503.3571              1506.6202              1510.6513
 Red. masses --      1.0809                 1.0728                 1.0683
 Frc consts  --      1.4394                 1.4347                 1.4364
 IR Inten    --      1.0366                12.3763                 6.4405
 RamAct Fr= 1--     11.8665                 5.4823                 0.7289
  Dep-P Fr= 1--      0.7224                 0.7377                 0.2737
  Dep-U Fr= 1--      0.8388                 0.8491                 0.4297
 Alpha2 Fr= 1--      0.0056                 0.0011                 0.0081
 Beta2  Fr= 1--      1.6590                 0.7758                 0.0522
 AlphaG Fr= 1--      0.0043                -0.0051                 0.0086
 Gamma2 Fr= 1--      2.9696                 0.8021                -0.3338
 Delta2 Fr= 1--     -0.3666                 1.1511                 0.1604
 Raman1 Fr= 1--      47.466                 21.929                  2.915
 ROA1   Fr= 1--     273.348                113.834                -26.914
 CID1   Fr= 1--       5.759                  5.191                 -9.232
 Raman2 Fr= 1--      19.908                  9.310                  0.626
 ROA2   Fr= 1--      74.203                 10.041                 -9.295
 CID2   Fr= 1--       3.727                  1.079                -14.838
 Raman3 Fr= 1--      39.816                 18.619                  1.253
 ROA3   Fr= 1--     273.348                113.834                -26.914
 CID3   Fr= 1--       6.865                  6.114                -21.482
 RC180  Fr= 1--       0.678                  0.698                 -0.141
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.00  -0.01     0.01  -0.01   0.02    -0.02  -0.01   0.02
     2   6    -0.02   0.04   0.01    -0.00  -0.02   0.02    -0.02  -0.01   0.02
     3   6     0.01  -0.00  -0.01     0.01   0.01  -0.01    -0.00  -0.00   0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00     0.01  -0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00   0.02   0.01    -0.02  -0.02  -0.00    -0.01  -0.00   0.03
     9   6    -0.01  -0.02   0.03    -0.01  -0.01   0.02     0.01   0.02  -0.03
    10   6     0.01  -0.04  -0.01     0.00  -0.05  -0.01    -0.00   0.03   0.01
    11   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    12   1    -0.09   0.04  -0.19    -0.07   0.02  -0.18     0.09  -0.02   0.22
    13   1     0.17   0.08  -0.11     0.15   0.06  -0.11    -0.19  -0.09   0.12
    14   1    -0.02   0.00  -0.00    -0.03  -0.02  -0.01     0.02  -0.00  -0.00
    15   1     0.16   0.20   0.17     0.22   0.28   0.23    -0.12  -0.16  -0.15
    16   1    -0.18   0.26  -0.01    -0.24   0.35  -0.01     0.15  -0.21   0.01
    17   1     0.36  -0.13  -0.10    -0.01   0.10   0.16     0.36   0.02   0.13
    18   1     0.04   0.27   0.01     0.15  -0.04  -0.28     0.22   0.25  -0.32
    19   1     0.03  -0.29   0.13    -0.21   0.14  -0.24    -0.20  -0.09  -0.14
    20   1    -0.01  -0.36   0.13     0.15   0.35   0.04     0.15   0.10   0.14
    21   1    -0.19   0.16  -0.09     0.29  -0.05  -0.14     0.15   0.17  -0.33
    22   1     0.20  -0.23  -0.26    -0.20   0.07   0.07    -0.14  -0.19  -0.24
    23   1    -0.02   0.00  -0.00    -0.01  -0.00  -0.00     0.01   0.00   0.01
    24   1    -0.04   0.00  -0.00    -0.05   0.00  -0.01     0.03  -0.00   0.01
    25   1     0.00   0.01   0.00     0.01   0.00  -0.00     0.00   0.01   0.00
    26   1     0.00  -0.00  -0.01     0.00   0.00  -0.01     0.00  -0.01  -0.01
    27   1    -0.01  -0.00  -0.01    -0.00  -0.00   0.00    -0.02  -0.01  -0.01
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1695.6931              1736.4569              3019.2955
 Red. masses --      5.8040                 9.8639                 1.0356
 Frc consts  --      9.8327                17.5237                 5.5625
 IR Inten    --     71.1314               276.3027                21.2172
 RamAct Fr= 1--    374.1965               201.0956                 6.6971
  Dep-P Fr= 1--      0.2834                 0.3438                 0.3628
  Dep-U Fr= 1--      0.4417                 0.5116                 0.5324
 Alpha2 Fr= 1--      4.0304                 1.8014                 0.0564
 Beta2  Fr= 1--     27.5467                17.1478                 0.5943
 AlphaG Fr= 1--      1.6491                 0.0675                 0.0790
 Gamma2 Fr= 1--     10.6858                -1.7456                -1.2586
 Delta2 Fr= 1--      0.3724                 0.8074                -1.0606
 Raman1 Fr= 1--    1496.786                804.382                 26.789
 ROA1   Fr= 1--    1037.748               -141.738               -154.770
 CID1   Fr= 1--       0.693                 -0.176                 -5.777
 Raman2 Fr= 1--     330.561                205.774                  7.132
 ROA2   Fr= 1--     253.479                -48.353                -21.722
 CID2   Fr= 1--       0.767                 -0.235                 -3.046
 Raman3 Fr= 1--     661.122                411.548                 14.263
 ROA3   Fr= 1--    1037.748               -141.738               -154.770
 CID3   Fr= 1--       1.570                 -0.344                -10.851
 RC180  Fr= 1--      -0.117                  0.023                  0.065
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.03   0.01
     2   6    -0.02   0.01   0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6    -0.06   0.01  -0.03     0.01   0.00  -0.00    -0.00   0.00  -0.01
     4   6     0.40  -0.17   0.18    -0.01  -0.01   0.00    -0.00  -0.00   0.00
     5   6    -0.38   0.17  -0.17    -0.06   0.04  -0.03     0.00  -0.00  -0.00
     6   6    -0.00   0.02  -0.01     0.48  -0.43   0.30    -0.00   0.00  -0.00
     7   8     0.05  -0.02   0.02    -0.31   0.28  -0.19     0.00  -0.00   0.00
     8   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.03  -0.01   0.02
     9   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   6     0.01  -0.00   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6    -0.01   0.00  -0.00    -0.02   0.03  -0.02    -0.00   0.00  -0.00
    12   1    -0.01   0.01  -0.03    -0.00   0.00  -0.00     0.01   0.00  -0.00
    13   1     0.02   0.00  -0.01     0.00   0.00   0.00     0.00  -0.00   0.00
    14   1    -0.19  -0.03   0.01     0.00   0.01   0.00     0.03  -0.02   0.11
    15   1    -0.01  -0.03   0.02    -0.02  -0.02  -0.01    -0.00   0.00  -0.00
    16   1     0.01   0.06  -0.04     0.01  -0.02  -0.00     0.00   0.00   0.00
    17   1     0.01  -0.00  -0.01    -0.00   0.00  -0.00    -0.05  -0.33   0.24
    18   1     0.01   0.00  -0.01    -0.00   0.00   0.01    -0.23   0.06  -0.12
    19   1    -0.02  -0.02  -0.01     0.00  -0.00   0.00     0.25  -0.07  -0.26
    20   1     0.02  -0.00   0.01     0.00  -0.00   0.00    -0.32   0.11   0.32
    21   1     0.00   0.00  -0.01    -0.00   0.00  -0.00    -0.12  -0.31  -0.21
    22   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.07   0.38  -0.30
    23   1    -0.52  -0.12  -0.10    -0.01  -0.01  -0.00     0.00   0.01  -0.00
    24   1     0.43   0.16   0.05     0.29  -0.01   0.08     0.00  -0.00   0.00
    25   1     0.04  -0.01  -0.01    -0.08   0.19   0.02     0.00  -0.00   0.00
    26   1    -0.01  -0.01   0.00     0.02  -0.28   0.11    -0.00  -0.00  -0.00
    27   1     0.03   0.01   0.03    -0.03   0.12  -0.17     0.00  -0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3023.1097              3027.0216              3040.6336
 Red. masses --      1.0489                 1.0694                 1.0372
 Frc consts  --      5.6477                 5.7734                 5.6499
 IR Inten    --     22.2480                38.9926                 3.3599
 RamAct Fr= 1--    149.6086               301.4026               144.0187
  Dep-P Fr= 1--      0.1268                 0.0525                 0.0078
  Dep-U Fr= 1--      0.2250                 0.0998                 0.0155
 Alpha2 Fr= 1--      2.4517                 5.9178                 3.1425
 Beta2  Fr= 1--      5.6115                 5.0143                 0.3726
 AlphaG Fr= 1--      0.7384                -3.4767                 0.7935
 Gamma2 Fr= 1--     11.8306               -10.8453                 0.0986
 Delta2 Fr= 1--      8.4690               -20.8037                -1.8874
 Raman1 Fr= 1--     598.435               1205.610                576.075
 ROA1   Fr= 1--    1406.747              -1706.866                -50.927
 CID1   Fr= 1--       2.351                 -1.416                 -0.088
 Raman2 Fr= 1--      67.338                 60.171                  4.471
 ROA2   Fr= 1--     216.183                -93.857                 17.467
 CID2   Fr= 1--       3.210                 -1.560                  3.907
 Raman3 Fr= 1--     134.677                120.342                  8.942
 ROA3   Fr= 1--    1406.747              -1706.866                -50.927
 CID3   Fr= 1--      10.445                -14.183                 -5.695
 RC180  Fr= 1--      -0.550                 -0.800                 -0.969
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03  -0.01     0.00   0.02   0.01     0.00  -0.00   0.00
     2   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.01   0.01  -0.04    -0.02   0.01  -0.07     0.00  -0.00   0.00
     4   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     7   8     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     8   6     0.02  -0.01   0.01    -0.02   0.01  -0.01     0.00  -0.00   0.00
     9   6    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00
    10   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.01   0.05  -0.02
    12   1     0.04   0.01  -0.01    -0.06  -0.02   0.01     0.00   0.00  -0.00
    13   1    -0.02  -0.00  -0.02     0.04   0.00   0.05    -0.00   0.00  -0.00
    14   1     0.14  -0.09   0.49     0.22  -0.14   0.78    -0.01   0.00  -0.02
    15   1    -0.00   0.00  -0.00     0.01  -0.01   0.00    -0.00   0.00  -0.00
    16   1    -0.02  -0.01  -0.02    -0.06  -0.04  -0.06     0.00   0.00   0.00
    17   1     0.06   0.38  -0.27    -0.03  -0.19   0.14     0.00   0.00  -0.00
    18   1     0.27  -0.07   0.14    -0.14   0.04  -0.07     0.00  -0.00   0.00
    19   1    -0.29   0.08   0.29     0.14  -0.04  -0.15    -0.00   0.00   0.00
    20   1    -0.19   0.06   0.19     0.18  -0.06  -0.18    -0.00   0.00   0.00
    21   1    -0.08  -0.21  -0.14     0.06   0.16   0.11    -0.00  -0.00  -0.00
    22   1     0.04   0.23  -0.18    -0.03  -0.19   0.15     0.00   0.00  -0.00
    23   1     0.00   0.02  -0.00     0.01   0.05  -0.01     0.01   0.02  -0.01
    24   1    -0.00  -0.00   0.00    -0.00  -0.01   0.00     0.00  -0.00   0.00
    25   1     0.00  -0.00   0.00     0.00  -0.00   0.01     0.10  -0.07   0.63
    26   1    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00    -0.38  -0.05  -0.08
    27   1     0.00  -0.00  -0.00     0.01  -0.01  -0.01     0.37  -0.44  -0.33
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3054.5170              3075.2246              3077.2020
 Red. masses --      1.0577                 1.1006                 1.0653
 Frc consts  --      5.8145                 6.1326                 5.9436
 IR Inten    --     33.7667                 5.6275                16.4610
 RamAct Fr= 1--    174.8805                24.0342               151.5265
  Dep-P Fr= 1--      0.0871                 0.7492                 0.0598
  Dep-U Fr= 1--      0.1603                 0.8566                 0.1128
 Alpha2 Fr= 1--      3.1596                 0.0003                 2.9242
 Beta2  Fr= 1--      4.6709                 3.4313                 2.8483
 AlphaG Fr= 1--     -0.8623                -0.0135                 1.5046
 Gamma2 Fr= 1--      0.4055                -2.3180               -12.4367
 Delta2 Fr= 1--     -4.6314                -3.7722                -8.9258
 Raman1 Fr= 1--     699.522                 96.137                606.106
 ROA1   Fr= 1--    -109.280               -343.236              -1479.546
 CID1   Fr= 1--      -0.156                 -3.570                 -2.441
 Raman2 Fr= 1--      56.051                 41.176                 34.180
 ROA2   Fr= 1--      46.783                -25.453               -227.073
 CID2   Fr= 1--       0.835                 -0.618                 -6.644
 Raman3 Fr= 1--     112.102                 82.351                 68.359
 ROA3   Fr= 1--    -109.280               -343.236              -1479.546
 CID3   Fr= 1--      -0.975                 -4.168                -21.644
 RC180  Fr= 1--      -0.679                  0.713                 -0.774
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.04  -0.03   0.07    -0.01  -0.00   0.01
     2   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.01
     4   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.00  -0.00     0.02   0.01  -0.03     0.00   0.02   0.00
     9   6    -0.02  -0.02   0.06    -0.01  -0.00  -0.00     0.01   0.00   0.01
    10   6    -0.00   0.01   0.00     0.00   0.01   0.01    -0.01  -0.06  -0.03
    11   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    12   1     0.65   0.22  -0.17     0.05   0.02  -0.01    -0.07  -0.03   0.02
    13   1    -0.42   0.00  -0.54     0.03   0.00   0.05    -0.11   0.00  -0.15
    14   1     0.01  -0.01   0.05     0.00   0.00   0.00     0.02  -0.02   0.08
    15   1     0.06  -0.05   0.02     0.05  -0.04   0.01    -0.38   0.31  -0.11
    16   1    -0.03  -0.02  -0.03    -0.08  -0.05  -0.07     0.55   0.33   0.48
    17   1    -0.01  -0.05   0.03     0.07   0.49  -0.33     0.01   0.07  -0.05
    18   1    -0.01   0.00  -0.01    -0.04   0.00   0.00    -0.01   0.00  -0.00
    19   1     0.02  -0.01  -0.02     0.44  -0.15  -0.44     0.08  -0.03  -0.08
    20   1     0.02  -0.01  -0.02    -0.22   0.08   0.22     0.04  -0.01  -0.03
    21   1     0.01   0.03   0.02     0.00   0.00  -0.01    -0.04  -0.10  -0.07
    22   1    -0.01  -0.04   0.03    -0.04  -0.24   0.19    -0.01  -0.08   0.07
    23   1     0.00   0.01  -0.00    -0.00  -0.02   0.01     0.00   0.02  -0.01
    24   1     0.00   0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.02   0.01
    25   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    26   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    27   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3082.1453              3088.6110              3096.4145
 Red. masses --      1.1011                 1.1004                 1.0993
 Frc consts  --      6.1626                 6.1848                 6.2098
 IR Inten    --     48.5628                33.2501                 8.0798
 RamAct Fr= 1--    145.5804                80.1594                38.4287
  Dep-P Fr= 1--      0.7187                 0.7222                 0.7468
  Dep-U Fr= 1--      0.8363                 0.8387                 0.8551
 Alpha2 Fr= 1--      0.0786                 0.0383                 0.0021
 Beta2  Fr= 1--     20.2920                11.2049                 5.4764
 AlphaG Fr= 1--      0.2340                 0.0201                 0.0435
 Gamma2 Fr= 1--     -0.4455                 8.0245                 3.6836
 Delta2 Fr= 1--     10.7925                -1.3957                 3.4299
 Raman1 Fr= 1--     582.322                320.637                153.715
 ROA1   Fr= 1--     302.593                725.690                463.382
 CID1   Fr= 1--       0.520                  2.263                  3.015
 Raman2 Fr= 1--     243.504                134.458                 65.717
 ROA2   Fr= 1--     -97.032                203.754                 60.967
 CID2   Fr= 1--      -0.398                  1.515                  0.928
 Raman3 Fr= 1--     487.008                268.917                131.434
 ROA3   Fr= 1--     302.593                725.690                463.382
 CID3   Fr= 1--       0.621                  2.699                  3.526
 RC180  Fr= 1--       0.673                  0.677                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01   0.03    -0.01   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.04  -0.03   0.06    -0.00  -0.08  -0.05     0.00   0.00   0.00
     9   6     0.00   0.00   0.00     0.01   0.00   0.01     0.00   0.00   0.00
    10   6    -0.00   0.00   0.00    -0.00  -0.01  -0.00    -0.00   0.00  -0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.02  -0.03  -0.08
    12   1    -0.02  -0.00   0.00    -0.08  -0.03   0.02    -0.02  -0.01   0.00
    13   1    -0.03   0.00  -0.04    -0.06   0.00  -0.08    -0.01   0.00  -0.01
    14   1    -0.00   0.00  -0.02     0.01  -0.01   0.03     0.00   0.00   0.00
    15   1     0.02  -0.01   0.00    -0.08   0.06  -0.02     0.01  -0.01   0.00
    16   1    -0.01  -0.01  -0.01     0.08   0.05   0.07    -0.00  -0.00  -0.00
    17   1     0.03   0.25  -0.17    -0.00  -0.03   0.02    -0.00  -0.01   0.00
    18   1    -0.02  -0.00   0.00     0.07  -0.02   0.04     0.03  -0.01   0.01
    19   1     0.23  -0.08  -0.23     0.01  -0.00  -0.01     0.01  -0.00  -0.01
    20   1     0.42  -0.15  -0.40    -0.30   0.08   0.28    -0.00   0.00   0.00
    21   1     0.02   0.07   0.06     0.27   0.65   0.44    -0.00  -0.00  -0.00
    22   1     0.07   0.51  -0.39     0.04   0.20  -0.18    -0.00  -0.00   0.00
    23   1    -0.00  -0.02   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    24   1    -0.00  -0.00   0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
    25   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.13  -0.09   0.69
    26   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.01  -0.01  -0.02
    27   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.39   0.47   0.32
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3096.9929              3100.1401              3123.9129
 Red. masses --      1.1026                 1.1027                 1.1064
 Frc consts  --      6.2308                 6.2441                 6.3612
 IR Inten    --     18.7827                34.3250                33.5559
 RamAct Fr= 1--     53.0673                80.8385                56.5623
  Dep-P Fr= 1--      0.4723                 0.6459                 0.7376
  Dep-U Fr= 1--      0.6416                 0.7848                 0.8490
 Alpha2 Fr= 1--      0.2966                 0.1516                 0.0120
 Beta2  Fr= 1--      5.6746                10.5741                 8.0034
 AlphaG Fr= 1--      0.4389                 0.1511                -0.0545
 Gamma2 Fr= 1--    -66.3854                62.9244                21.6627
 Delta2 Fr= 1--    -36.3491                38.5855                 9.4637
 Raman1 Fr= 1--     212.269                323.354                226.249
 ROA1   Fr= 1--   -7536.167               7275.480               2382.463
 CID1   Fr= 1--     -35.503                 22.500                 10.530
 Raman2 Fr= 1--      68.095                126.889                 96.040
 ROA2   Fr= 1--   -1302.455               1201.503                444.196
 CID2   Fr= 1--     -19.127                  9.469                  4.625
 Raman3 Fr= 1--     136.191                253.778                192.081
 ROA3   Fr= 1--   -7536.167               7275.480               2382.463
 CID3   Fr= 1--     -55.335                 28.669                 12.403
 RC180  Fr= 1--       0.283                  0.570                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.03  -0.02    -0.05   0.03  -0.02    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.01   0.00
     6   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   6     0.00   0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   6     0.06   0.01   0.02    -0.06  -0.01  -0.02    -0.03  -0.00  -0.01
    10   6    -0.01   0.01  -0.00     0.02  -0.02   0.01    -0.08   0.02  -0.04
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    12   1    -0.41  -0.14   0.12     0.43   0.15  -0.13     0.18   0.06  -0.05
    13   1    -0.25   0.01  -0.34     0.28  -0.01   0.38     0.15  -0.00   0.21
    14   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01   0.04
    15   1     0.18  -0.16   0.05    -0.22   0.20  -0.06     0.55  -0.49   0.15
    16   1    -0.02  -0.01  -0.02    -0.01  -0.01  -0.01     0.36   0.25   0.33
    17   1    -0.04  -0.17   0.12    -0.04  -0.17   0.12    -0.00  -0.01   0.01
    18   1     0.57  -0.13   0.30     0.53  -0.12   0.28     0.03  -0.01   0.02
    19   1     0.16  -0.05  -0.18     0.13  -0.04  -0.15     0.00  -0.00  -0.01
    20   1     0.01  -0.00  -0.01     0.03  -0.01  -0.03    -0.01   0.00   0.01
    21   1    -0.04  -0.09  -0.06     0.00   0.01   0.01     0.02   0.04   0.03
    22   1    -0.01  -0.05   0.04     0.00   0.02  -0.02     0.00   0.01  -0.01
    23   1    -0.00  -0.01   0.00     0.00   0.01  -0.00    -0.00  -0.02   0.01
    24   1     0.00   0.02  -0.01    -0.00  -0.02   0.01     0.01   0.07  -0.02
    25   1    -0.00   0.00  -0.03    -0.00   0.00  -0.00     0.00  -0.00   0.00
    26   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    27   1     0.02  -0.02  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3139.1454              3146.2521              3179.7836
 Red. masses --      1.0877                 1.1008                 1.0881
 Frc consts  --      6.3153                 6.4203                 6.4823
 IR Inten    --     10.8260                 9.9266                 6.5280
 RamAct Fr= 1--     77.5621                87.2967                46.9346
  Dep-P Fr= 1--      0.1788                 0.6165                 0.2080
  Dep-U Fr= 1--      0.3034                 0.7627                 0.3444
 Alpha2 Fr= 1--      1.1134                 0.2137                 0.6239
 Beta2  Fr= 1--      3.9224                11.0974                 2.6943
 AlphaG Fr= 1--      0.3420                -0.1623                -0.1546
 Gamma2 Fr= 1--      2.2059                -0.1770                -2.9242
 Delta2 Fr= 1--      3.5633                -3.0533                -0.1710
 Raman1 Fr= 1--     310.248                349.187                187.738
 ROA1   Fr= 1--     325.798               -114.696               -286.197
 CID1   Fr= 1--       1.050                 -0.328                 -1.524
 Raman2 Fr= 1--      47.069                133.168                 32.331
 ROA2   Fr= 1--      24.436                 20.178                -68.813
 CID2   Fr= 1--       0.519                  0.152                 -2.128
 Raman3 Fr= 1--      94.138                266.337                 64.662
 ROA3   Fr= 1--     325.798               -114.696               -286.197
 CID3   Fr= 1--       3.461                 -0.431                 -4.426
 RC180  Fr= 1--      -0.393                  0.525                 -0.311
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.01  -0.08   0.03     0.00   0.01  -0.00    -0.00  -0.00   0.00
     5   6    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.01  -0.08   0.03
     6   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     9   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.00   0.00
    11   6    -0.01  -0.00  -0.00    -0.09   0.00  -0.03     0.00   0.00   0.00
    12   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1    -0.02   0.01  -0.05     0.00  -0.00   0.01     0.00  -0.00   0.00
    15   1     0.03  -0.02   0.01    -0.01   0.00  -0.00    -0.06   0.05  -0.02
    16   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01
    17   1     0.00   0.02  -0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
    18   1     0.01  -0.00   0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    19   1     0.01  -0.00  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    21   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    22   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    23   1     0.19   0.91  -0.29    -0.03  -0.15   0.05     0.02   0.08  -0.03
    24   1    -0.01  -0.07   0.02     0.00   0.03  -0.01     0.15   0.93  -0.31
    25   1     0.00  -0.00   0.03     0.03  -0.03   0.27    -0.00   0.00  -0.00
    26   1     0.16   0.03   0.03     0.88   0.14   0.18    -0.01  -0.00  -0.00
    27   1     0.01  -0.02  -0.01     0.13  -0.18  -0.13    -0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   811.577443283.795113606.96683
           X            0.99989   0.01392  -0.00590
           Y           -0.01391   0.99990   0.00197
           Z            0.00593  -0.00189   0.99998
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10672     0.02638     0.02401
 Rotational constants (GHZ):           2.22374     0.54959     0.50035
 Zero-point vibrational energy     622607.3 (Joules/Mol)
                                  148.80672 (Kcal/Mol)
 Warning -- explicit consideration of  18 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     49.50    92.26   111.56   184.49   212.87
          (Kelvin)            243.53   341.07   365.48   387.46   398.78
                              442.94   499.16   536.85   637.28   676.21
                              762.38   821.69   852.60   924.94  1056.71
                             1157.59  1177.97  1236.32  1284.00  1307.99
                             1355.32  1376.61  1412.18  1423.26  1452.51
                             1475.04  1483.11  1512.56  1585.02  1592.92
                             1676.27  1727.86  1765.37  1789.99  1826.86
                             1838.72  1850.49  1864.19  1868.70  1939.92
                             1973.75  1998.89  2021.84  2045.63  2117.12
                             2129.75  2135.16  2139.94  2149.05  2163.00
                             2167.69  2173.49  2439.72  2498.37  4344.09
                             4349.58  4355.21  4374.79  4394.77  4424.56
                             4427.41  4434.52  4443.82  4455.05  4455.88
                             4460.41  4494.61  4516.53  4526.75  4575.00
 
 Zero-point correction=                           0.237139 (Hartree/Particle)
 Thermal correction to Energy=                    0.249545
 Thermal correction to Enthalpy=                  0.250490
 Thermal correction to Gibbs Free Energy=         0.198297
 Sum of electronic and zero-point Energies=           -465.872506
 Sum of electronic and thermal Energies=              -465.860099
 Sum of electronic and thermal Enthalpies=            -465.859155
 Sum of electronic and thermal Free Energies=         -465.911347
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  156.592             46.304            109.848
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             30.642
 Vibrational            154.815             40.342             38.238
 Vibration     1          0.594              1.983              5.558
 Vibration     2          0.597              1.971              4.326
 Vibration     3          0.599              1.964              3.952
 Vibration     4          0.611              1.925              2.972
 Vibration     5          0.617              1.905              2.698
 Vibration     6          0.625              1.880              2.444
 Vibration     7          0.656              1.784              1.825
 Vibration     8          0.665              1.756              1.702
 Vibration     9          0.674              1.730              1.601
 Vibration    10          0.678              1.716              1.551
 Vibration    11          0.698              1.659              1.374
 Vibration    12          0.725              1.582              1.180
 Vibration    13          0.745              1.527              1.067
 Vibration    14          0.803              1.376              0.817
 Vibration    15          0.827              1.317              0.738
 Vibration    16          0.885              1.184              0.587
 Vibration    17          0.927              1.094              0.502
 Vibration    18          0.950              1.048              0.463
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.616212D-91        -91.210270       -210.019407
 Total V=0       0.734210D+18         17.865820         41.137572
 Vib (Bot)       0.752882-105       -105.123273       -242.055281
 Vib (Bot)    1  0.601671D+01          0.779359          1.794540
 Vib (Bot)    2  0.321890D+01          0.507708          1.169040
 Vib (Bot)    3  0.265710D+01          0.424408          0.977236
 Vib (Bot)    4  0.159060D+01          0.201562          0.464114
 Vib (Bot)    5  0.137132D+01          0.137140          0.315776
 Vib (Bot)    6  0.119093D+01          0.075885          0.174731
 Vib (Bot)    7  0.828255D+00         -0.081836         -0.188435
 Vib (Bot)    8  0.766842D+00         -0.115294         -0.265474
 Vib (Bot)    9  0.717905D+00         -0.143933         -0.331418
 Vib (Bot)   10  0.694701D+00         -0.158202         -0.364273
 Vib (Bot)   11  0.614984D+00         -0.211136         -0.486159
 Vib (Bot)   12  0.532861D+00         -0.273386         -0.629494
 Vib (Bot)   13  0.486879D+00         -0.312579         -0.719740
 Vib (Bot)   14  0.389378D+00         -0.409629         -0.943205
 Vib (Bot)   15  0.358890D+00         -0.445039         -1.024739
 Vib (Bot)   16  0.301855D+00         -0.520202         -1.197809
 Vib (Bot)   17  0.269193D+00         -0.569936         -1.312326
 Vib (Bot)   18  0.253898D+00         -0.595341         -1.370822
 Vib (V=0)       0.897050D+04          3.952817          9.101697
 Vib (V=0)    1  0.653745D+01          0.815408          1.877546
 Vib (V=0)    2  0.375750D+01          0.574899          1.323754
 Vib (V=0)    3  0.320374D+01          0.505657          1.164317
 Vib (V=0)    4  0.216734D+01          0.335927          0.773501
 Vib (V=0)    5  0.195963D+01          0.292175          0.672757
 Vib (V=0)    6  0.179163D+01          0.253248          0.583125
 Vib (V=0)    7  0.146747D+01          0.166570          0.383542
 Vib (V=0)    8  0.141545D+01          0.150894          0.347447
 Vib (V=0)    9  0.137486D+01          0.138260          0.318355
 Vib (V=0)   10  0.135593D+01          0.132236          0.304485
 Vib (V=0)   11  0.129259D+01          0.111462          0.256651
 Vib (V=0)   12  0.123071D+01          0.090157          0.207594
 Vib (V=0)   13  0.119789D+01          0.078417          0.180562
 Vib (V=0)   14  0.113373D+01          0.054510          0.125514
 Vib (V=0)   15  0.111547D+01          0.047457          0.109275
 Vib (V=0)   16  0.108405D+01          0.035050          0.080706
 Vib (V=0)   17  0.106786D+01          0.028514          0.065657
 Vib (V=0)   18  0.106077D+01          0.025622          0.058996
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.110986D+07          6.045270         13.919748
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000001463   -0.000001274   -0.000001383
      2        6          -0.000002203    0.000003291    0.000008605
      3        6          -0.000001508   -0.000003767   -0.000009967
      4        6          -0.000000082    0.000000268   -0.000002699
      5        6          -0.000001455    0.000000084    0.000004146
      6        6           0.000000556   -0.000001081   -0.000006309
      7        8           0.000001566   -0.000001458   -0.000005002
      8        6           0.000001518   -0.000001582    0.000001446
      9        6           0.000001143   -0.000001528   -0.000002151
     10        6           0.000003553    0.000001693    0.000004543
     11        6          -0.000002702    0.000005116    0.000011505
     12        1          -0.000000364   -0.000001583    0.000001457
     13        1          -0.000000772    0.000000905    0.000000179
     14        1           0.000000525    0.000001726    0.000001307
     15        1           0.000000946   -0.000001239   -0.000002657
     16        1          -0.000000710    0.000001368   -0.000001011
     17        1           0.000000119    0.000000897    0.000001967
     18        1          -0.000000138   -0.000000133    0.000000591
     19        1           0.000000013   -0.000001073    0.000002184
     20        1          -0.000000457   -0.000000111    0.000002309
     21        1          -0.000000789    0.000000614    0.000001416
     22        1           0.000000004    0.000000086    0.000002122
     23        1          -0.000000071    0.000000363   -0.000000093
     24        1          -0.000000617   -0.000000241   -0.000000849
     25        1           0.000001085   -0.000002093   -0.000004450
     26        1          -0.000000300   -0.000000223   -0.000001733
     27        1          -0.000000325    0.000000975   -0.000005472
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000011505 RMS     0.000002800
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.166027D+03 -0.598266D+01  0.714589D+01
      2  -0.598266D+01  0.120726D+03 -0.414087D+01
      3   0.714589D+01 -0.414087D+01  0.104904D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.406920D+01 -0.395848D+01 -0.902731D+01
      2   0.443712D+02 -0.166334D+02 -0.316558D+02
      3  -0.312890D+00  0.226174D+02  0.136007D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.414333D+02 -0.174590D+02  0.421428D+02
      2  -0.783164D+01  0.199006D+02 -0.143857D+02
      3  -0.336017D+02 -0.244162D+01 -0.277571D+02
      4   0.686493D+01 -0.402532D+02 -0.388366D+02
      5   0.338106D+02 -0.387414D+02 -0.814934D+02
      6  -0.162552D+02  0.867507D+00  0.238025D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.149056D+01 -0.461124D+00 -0.486983D+01  0.777298D+00  0.639110D+00
      2  -0.461124D+00  0.571041D+00  0.267022D+01  0.639110D+00 -0.327781D+01
      3  -0.486983D+01  0.267022D+01  0.176420D+01  0.257675D+01  0.330613D+01
                 6             7             8             9            10 
      1   0.257675D+01 -0.578977D+01  0.283320D+01  0.186982D+01 -0.151789D+02
      2   0.330613D+01  0.283320D+01  0.364794D+01 -0.193460D+01  0.262161D+01
      3  -0.873662D+00  0.186982D+01 -0.193460D+01 -0.234362D+01  0.542019D+01
                11            12            13            14            15 
      1   0.262161D+01  0.542019D+01  0.888000D+01 -0.301486D+01 -0.280518D+01
      2  -0.216815D+01 -0.245546D+01 -0.301486D+01  0.441460D+01 -0.364382D+01
      3  -0.245546D+01 -0.122830D+01 -0.280518D+01 -0.364382D+01  0.198315D+01
                16            17            18            19            20 
      1   0.185303D+02 -0.401584D+01 -0.338092D+01  0.328846D+02 -0.466281D+01
      2  -0.401584D+01 -0.294139D+01  0.198781D+01 -0.466281D+01  0.297426D+01
      3  -0.338092D+01  0.198781D+01  0.712955D+00 -0.851386D+00  0.862303D+00
                21            22            23            24            25 
      1  -0.851386D+00 -0.113510D+02  0.391744D+01  0.159513D+01 -0.630332D+01
      2   0.862303D+00  0.391744D+01  0.171502D+01 -0.189834D+01  0.213907D+01
      3   0.244305D+01  0.159513D+01 -0.189834D+01 -0.263273D+01  0.583275D+01
                26            27            28            29            30 
      1   0.213907D+01  0.583275D+01 -0.487375D+02  0.597386D+01 -0.462585D+01
      2  -0.263089D+01 -0.270081D+01  0.597386D+01 -0.241340D+01 -0.104346D-01
      3  -0.270081D+01  0.531068D+01 -0.462585D+01 -0.104346D-01 -0.263156D+01
                31            32            33            34            35 
      1   0.146100D+02 -0.547335D+01  0.129863D+01 -0.149946D+02  0.363216D+00
      2  -0.547335D+01 -0.171796D+01  0.140016D+01  0.363216D+00  0.142384D+01
      3   0.129863D+01  0.140016D+01  0.134482D+01 -0.664265D+01  0.612760D+00
                36            37            38            39            40 
      1  -0.664265D+01  0.485274D+02 -0.757012D+01  0.759415D+01 -0.104190D+02
      2   0.612760D+00 -0.757012D+01  0.126792D+01 -0.407411D+00  0.417865D+01
      3  -0.525702D+01  0.759415D+01 -0.407411D+00  0.306702D+01 -0.416692D+00
                41            42            43            44            45 
      1   0.417865D+01 -0.416692D+00  0.158274D+02 -0.141092D+01  0.597679D+01
      2   0.201100D+01 -0.212433D+01 -0.141092D+01 -0.210197D+01 -0.832485D+00
      3  -0.212433D+01 -0.163548D+01  0.597679D+01 -0.832485D+00  0.305395D+01
                46            47            48            49            50 
      1  -0.341860D+02  0.719118D+01 -0.809989D+01  0.530300D+01 -0.375550D+01
      2   0.719118D+01 -0.105055D+01  0.219422D+01 -0.375550D+01 -0.217577D+01
      3  -0.809989D+01  0.219422D+01 -0.126444D+01  0.290071D+01  0.241084D+00
                51            52            53            54            55 
      1   0.290071D+01 -0.108154D+02  0.348727D+01 -0.295492D+01  0.275658D+02
      2   0.241084D+00  0.348727D+01  0.763246D+00  0.852579D+00 -0.647254D+01
      3   0.865777D+00 -0.295492D+01  0.852579D+00 -0.114639D+01  0.600059D+01
                56            57            58            59            60 
      1  -0.647254D+01  0.600059D+01 -0.180827D+02  0.679499D+01 -0.412098D+01
      2   0.246933D+01 -0.146908D+01  0.679499D+01 -0.496639D+01  0.214823D+01
      3  -0.146908D+01  0.214585D+01 -0.412098D+01  0.214823D+01 -0.185405D+01
                61            62            63            64            65 
      1   0.121769D+02 -0.234719D+01  0.653472D+01  0.247197D+01 -0.325492D+00
      2  -0.234719D+01  0.978022D+00 -0.270299D+01 -0.325492D+00  0.128533D+01
      3   0.653472D+01 -0.270299D+01  0.446353D+01 -0.454132D+01  0.272039D+01
                66            67            68            69            70 
      1  -0.454132D+01  0.146837D+00  0.242627D+01  0.260693D+01 -0.753945D+01
      2   0.272039D+01  0.242627D+01 -0.128579D+01  0.475363D+01  0.265745D+01
      3   0.857368D+00  0.260693D+01  0.475363D+01 -0.103966D+01  0.289335D+01
                71            72            73            74            75 
      1   0.265745D+01  0.289335D+01  0.599595D+01  0.232070D+01 -0.366698D+01
      2   0.434916D+01 -0.158093D+01  0.232070D+01  0.566533D+00 -0.174058D+01
      3  -0.158093D+01  0.112789D+01 -0.366698D+01 -0.174058D+01 -0.219761D+01
                76            77            78            79            80 
      1   0.333259D+01  0.966146D-01 -0.219311D+01 -0.407175D+01 -0.115330D+01
      2   0.966146D-01 -0.513288D+01  0.321167D+01 -0.115330D+01  0.298173D+01
      3  -0.219311D+01  0.321167D+01  0.912605D+00 -0.224074D+01  0.133642D+01
                81            82            83            84            85 
      1  -0.224074D+01  0.238239D+00  0.165751D+01  0.104826D+01  0.738475D+00
      2   0.133642D+01  0.165751D+01 -0.246938D+01  0.275833D+01 -0.263266D+01
      3  -0.151561D+01  0.104826D+01  0.275833D+01  0.281165D+01  0.230891D+01
                86            87            88            89            90 
      1  -0.263266D+01  0.230891D+01  0.247866D+00  0.378669D+01  0.280904D+01
      2   0.343062D+00  0.158943D+01  0.378669D+01  0.152215D+01 -0.721385D+00
      3   0.158943D+01 -0.631434D+00  0.280904D+01 -0.721385D+00 -0.139721D+01
                91            92            93            94            95 
      1  -0.827226D+01 -0.202899D+01 -0.223119D+01  0.602990D+00  0.392390D+01
      2  -0.202899D+01  0.333208D+01 -0.132893D+00  0.392390D+01  0.960044D+00
      3  -0.223119D+01 -0.132893D+00  0.157142D+01 -0.303318D+00 -0.176720D+01
                96            97            98            99           100 
      1  -0.303318D+00 -0.348883D+01 -0.527371D+00  0.523402D+00 -0.870900D+01
      2  -0.176720D+01 -0.527371D+00 -0.190471D+01 -0.203630D+01 -0.296041D+01
      3  -0.137653D+01  0.523402D+00 -0.203630D+01  0.458147D+01  0.361647D+01
               101           102           103           104           105 
      1  -0.296041D+01  0.361647D+01 -0.175358D+01 -0.200063D+01  0.104664D+01
      2  -0.246564D+01  0.135084D+01 -0.200063D+01 -0.150775D+01  0.818202D+00
      3   0.135084D+01 -0.224355D+01  0.104664D+01  0.818202D+00 -0.858475D+00
               106           107           108           109           110 
      1   0.156039D+01  0.995169D+00 -0.176076D+01  0.155408D+01 -0.427146D+00
      2   0.995169D+00  0.520775D+00 -0.108492D+01 -0.427146D+00  0.964335D+00
      3  -0.176076D+01 -0.108492D+01  0.208458D+01  0.168489D+01 -0.165837D+00
               111           112           113           114           115 
      1   0.168489D+01  0.218254D+00  0.230503D+00  0.112899D+00  0.963394D+00
      2  -0.165837D+00  0.230503D+00 -0.111934D-01  0.628262D+00 -0.698580D-01
      3   0.309143D+01  0.112899D+00  0.628262D+00 -0.305368D+00  0.144271D+01
               116           117           118           119           120 
      1  -0.698580D-01  0.144271D+01 -0.427923D+01  0.100119D+01 -0.177917D+01
      2   0.115481D+01 -0.101987D+01  0.100119D+01 -0.576542D+00  0.242037D+00
      3  -0.101987D+01  0.649804D+01 -0.177917D+01  0.242037D+00 -0.193950D+01
               121           122           123           124           125 
      1   0.472303D+01 -0.966609D+00  0.414171D+00 -0.284264D+01 -0.194792D-01
      2  -0.966609D+00  0.469010D+00 -0.122383D+01 -0.194792D-01 -0.939413D+00
      3   0.414171D+00 -0.122383D+01  0.154417D+01 -0.325471D+01  0.123411D+01
               126           127           128           129           130 
      1  -0.325471D+01  0.309505D+01 -0.189806D+01 -0.381128D+00 -0.122269D+01
      2   0.123411D+01 -0.189806D+01  0.352953D+01 -0.116872D+00  0.207330D+01
      3  -0.929555D+01 -0.381128D+00 -0.116872D+00  0.394329D+00 -0.157086D+00
               131           132           133           134           135 
      1   0.207330D+01 -0.157086D+00  0.445813D+00 -0.508317D+00  0.498696D-01
      2  -0.576669D+01 -0.219573D+00 -0.508317D+00  0.780528D+00 -0.873304D+00
      3  -0.219573D+00 -0.684344D+00  0.498696D-01 -0.873304D+00  0.278656D+00
               136           137           138           139           140 
      1  -0.383270D+01 -0.252956D+01 -0.179195D+01 -0.158829D+01 -0.184469D+01
      2  -0.252956D+01 -0.246961D+01 -0.167295D+01 -0.184469D+01 -0.357593D+01
      3  -0.179195D+01 -0.167295D+01 -0.220525D+01 -0.117053D+01 -0.199313D+01
               141           142           143           144           145 
      1  -0.117053D+01 -0.218564D+01 -0.186433D+01 -0.197427D+01  0.603435D+00
      2  -0.199313D+01 -0.186433D+01 -0.267499D+01 -0.215569D+01  0.111636D+01
      3  -0.148734D+01 -0.197427D+01 -0.215569D+01 -0.293430D+01  0.341236D-01
               146           147           148           149           150 
      1   0.111636D+01  0.341236D-01  0.850348D+00  0.300422D+00 -0.292548D+00
      2   0.660726D+00 -0.418420D+00  0.300422D+00  0.798618D+01 -0.165911D+01
      3  -0.418420D+00 -0.255702D-01 -0.292548D+00 -0.165911D+01  0.155565D+01
               151           152           153           154           155 
      1  -0.340908D+00 -0.321375D+00 -0.987277D-02  0.592984D+01 -0.272459D+00
      2  -0.321375D+00 -0.382547D+01  0.172429D+01 -0.272459D+00  0.142611D+01
      3  -0.987277D-02  0.172429D+01 -0.145122D+01  0.197931D+01  0.335404D+00
               156           157           158           159           160 
      1   0.197931D+01 -0.126646D+01  0.866648D+00 -0.155447D+00  0.161282D+01
      2   0.335404D+00  0.866648D+00 -0.149627D+00 -0.127861D+00  0.234900D+00
      3   0.191539D+01 -0.155447D+00 -0.127861D+00 -0.408835D+00  0.159137D+01
               161           162           163           164           165 
      1   0.234900D+00  0.159137D+01 -0.430527D+01  0.193854D+01  0.326619D+01
      2   0.150327D+00  0.431594D+00  0.193854D+01 -0.224882D+01 -0.186367D+01
      3   0.431594D+00  0.241514D+01  0.326619D+01 -0.186367D+01 -0.328025D+01
               166           167           168           169           170 
      1   0.621389D+00 -0.131301D+01 -0.977281D+00  0.290297D+01 -0.159460D+01
      2  -0.131301D+01  0.197128D+01  0.115543D+01 -0.159460D+01  0.170951D+01
      3  -0.977281D+00  0.115543D+01  0.114298D+01 -0.306395D+01  0.252066D+01
               171           172           173           174           175 
      1  -0.306395D+01 -0.766982D+01  0.199215D+01  0.248998D+01  0.187358D+01
      2   0.252066D+01  0.199215D+01 -0.134845D+01 -0.807860D+00 -0.195185D+01
      3   0.520779D+01  0.248998D+01 -0.807860D+00 -0.173619D+01 -0.731265D+00
               176           177           178           179           180 
      1  -0.195185D+01 -0.731265D+00  0.624463D+01 -0.168328D+01 -0.269094D+01
      2   0.132166D+01  0.214340D+00 -0.168328D+01  0.943091D+00  0.959807D+00
      3   0.214340D+00  0.644180D+00 -0.269094D+01  0.959807D+00  0.244684D+01
               181           182           183           184           185 
      1  -0.267389D+01 -0.141309D+01 -0.106913D+01 -0.310290D+01 -0.175957D+01
      2  -0.141309D+01 -0.115921D+01 -0.993757D+00 -0.175957D+01 -0.321257D+01
      3  -0.106913D+01 -0.993757D+00 -0.124625D+01 -0.178193D+01 -0.214184D+01
               186           187           188           189           190 
      1  -0.178193D+01 -0.149380D+01 -0.109860D+01 -0.210595D+01 -0.288020D+00
      2  -0.214184D+01 -0.109860D+01 -0.198858D+01 -0.132532D+01  0.751775D+00
      3  -0.202661D+01 -0.210595D+01 -0.132532D+01 -0.291856D+01 -0.219880D+00
               191           192           193           194           195 
      1   0.751775D+00 -0.219880D+00  0.178761D+01 -0.160056D+01  0.679023D+00
      2   0.306814D+00 -0.397481D+00 -0.160056D+01  0.539120D+01 -0.327117D+01
      3  -0.397481D+00  0.255622D+00  0.679023D+00 -0.327117D+01  0.275463D+01
               196           197           198           199           200 
      1  -0.723586D+00  0.624824D+00 -0.131778D+01 -0.466695D+00  0.133783D+01
      2   0.624824D+00 -0.328407D+01  0.279833D+01  0.133783D+01  0.871277D+00
      3  -0.131778D+01  0.279833D+01 -0.366532D+01 -0.736800D+00 -0.311867D+00
               201           202           203           204           205 
      1  -0.736800D+00  0.136532D+01  0.117245D+01 -0.204411D+00 -0.193450D+01
      2  -0.311867D+00  0.117245D+01  0.540899D+01 -0.185352D+01  0.140500D+00
      3  -0.660043D-01 -0.204411D+00 -0.185352D+01  0.139088D+01  0.748150D+00
               206           207           208           209           210 
      1   0.140500D+00  0.748150D+00  0.330685D+00 -0.111193D+01  0.508977D+00
      2  -0.166728D+01  0.108725D+01 -0.111193D+01 -0.201116D+00  0.212968D-01
      3   0.108725D+01 -0.719511D+00  0.508977D+00  0.212968D-01  0.126331D+00
               211           212           213           214           215 
      1  -0.194761D+01 -0.654426D+00 -0.530880D-01  0.804732D+00 -0.152261D+00
      2  -0.654426D+00 -0.610312D+01  0.151426D+01 -0.152261D+00  0.192118D+01
      3  -0.530880D-01  0.151426D+01 -0.121218D+01 -0.289535D+00 -0.100120D+01
               216           217           218           219           220 
      1  -0.289535D+00  0.130182D+01  0.323630D+00 -0.552866D+00  0.961243D+00
      2  -0.100120D+01  0.323630D+00 -0.827630D+00  0.133364D+00 -0.435774D-01
      3   0.685080D+00 -0.552866D+00  0.133364D+00 -0.499052D+00  0.338218D-01
               221           222           223           224           225 
      1  -0.435774D-01  0.338218D-01 -0.191512D+01 -0.882394D+00  0.769336D+00
      2   0.106176D+01 -0.954349D+00 -0.882394D+00 -0.203493D+01  0.204962D+01
      3  -0.954349D+00  0.104520D+01  0.769336D+00  0.204962D+01 -0.745169D+01
               226           227           228           229           230 
      1   0.103624D+02  0.293014D+01  0.675595D+00  0.152804D+01  0.119592D+01
      2   0.293014D+01  0.182881D+01  0.171589D+00  0.119592D+01  0.833476D+00
      3   0.675595D+00  0.171589D+00  0.117859D+01  0.190189D+00  0.399248D+00
               231           232           233           234           235 
      1   0.190189D+00  0.162693D+01  0.563466D+00  0.118047D+01 -0.771415D+00
      2   0.399248D+00  0.563466D+00  0.744949D+00  0.602395D+00  0.977260D+00
      3   0.296544D+00  0.118047D+01  0.602395D+00  0.109303D+00  0.109865D+01
               236           237           238           239           240 
      1   0.977260D+00  0.109865D+01  0.241423D+01 -0.804925D+00 -0.400942D+00
      2  -0.265559D+01 -0.495437D+00 -0.804925D+00  0.499617D+01  0.149798D+01
      3  -0.495437D+00 -0.105874D+01 -0.400942D+00  0.149798D+01  0.154613D+01
               241           242           243 
      1   0.149515D+01 -0.176628D+00 -0.534776D+00
      2  -0.176628D+00  0.240244D+01  0.177221D+01
      3  -0.534776D+00  0.177221D+01  0.112011D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.106619D+02 -0.534691D+01  0.310040D+00 -0.306497D+01 -0.131996D+02
      2   0.139156D+02 -0.278028D+01  0.567688D+01 -0.548924D+01 -0.508577D+01
      3  -0.640757D+01 -0.384536D+01 -0.600964D+01  0.449708D+01 -0.431396D+01
                 6             7             8             9            10 
      1   0.461897D+01 -0.780872D+00  0.126659D+02  0.315976D+01 -0.107296D+02
      2  -0.188039D+01  0.201257D+00 -0.980003D+00  0.200714D+01 -0.304796D+02
      3   0.106188D+02 -0.519270D+01  0.123853D+02 -0.331006D-01  0.422828D+01
                11            12            13            14            15 
      1   0.375631D+01  0.219572D+01  0.403948D+01  0.626120D+01 -0.871214D+01
      2   0.877581D+01  0.643197D+01  0.176336D+02  0.731852D+01 -0.518902D+01
      3  -0.804654D+01 -0.368089D+01  0.167058D+01  0.763425D+01 -0.126464D+02
                16            17            18            19            20 
      1   0.946243D+01 -0.610930D-01  0.802381D-01  0.117625D+02 -0.481425D+01
      2   0.146107D+02 -0.495852D+01 -0.442409D+01  0.342425D+02 -0.595588D+01
      3  -0.320761D+01 -0.138015D+02  0.304075D+01 -0.414510D+01 -0.123098D+01
                21            22            23            24            25 
      1  -0.240985D+01 -0.926330D+01 -0.584930D+01  0.290361D+00 -0.111482D+02
      2   0.810825D+00 -0.157473D+02  0.572878D+01  0.422704D+01 -0.190290D+02
      3   0.123075D+01  0.106514D+02 -0.344547D+00 -0.204122D+01 -0.969209D+00
                26            27            28            29            30 
      1   0.814320D+01  0.281356D+01 -0.125814D+02  0.151352D+01  0.397002D+00
      2   0.509628D+01  0.440928D+01 -0.344892D+02  0.248677D+01 -0.836160D+01
      3   0.533789D-01 -0.257053D+01  0.442208D+01  0.334208D+01  0.303503D+01
                31            32            33            34            35 
      1   0.365343D+01  0.376127D+01 -0.250396D+01  0.373136D+01  0.215027D+01
      2   0.789329D+01 -0.316251D+01  0.202262D+01 -0.435150D+02  0.335473D+01
      3   0.184619D+02 -0.173502D+01  0.124441D+01  0.909484D+01  0.691127D+00
                36            37            38            39            40 
      1  -0.826769D+00  0.105723D+02 -0.142696D+01 -0.183609D+01 -0.868993D+01
      2  -0.119239D+02  0.405097D+02 -0.437531D+01  0.142686D+02 -0.536552D+01
      3   0.131167D+01  0.340897D+01 -0.633911D+01 -0.189235D+01  0.727832D+01
                41            42            43            44            45 
      1   0.469914D-02 -0.237121D+01 -0.415200D+01  0.962857D+00 -0.408808D+00
      2  -0.115396D+01  0.122367D+01  0.153412D+02  0.392214D+00  0.830796D+01
      3  -0.106725D+02  0.572207D+01 -0.629472D+01  0.392218D+01 -0.143535D+01
                46            47            48            49            50 
      1  -0.988356D+01 -0.108412D+01  0.888558D+01 -0.901756D+00  0.879805D+01
      2  -0.229994D+02  0.439937D+01 -0.179381D+02  0.199313D+01 -0.137119D+01
      3  -0.101472D+02  0.671816D+01  0.360626D+01  0.201311D+02  0.768583D+01
                51            52            53            54            55 
      1   0.317510D+01  0.553814D+01  0.149595D+02 -0.445564D+01  0.487998D+01
      2   0.261470D+01 -0.282045D+02 -0.206031D+01 -0.902508D+01  0.180294D+02
      3   0.180059D+01  0.479161D+00  0.497989D+01 -0.139878D+01  0.564288D+01
                56            57            58            59            60 
      1   0.142722D+01 -0.216734D+01 -0.200322D+01 -0.306039D+01 -0.434178D+01
      2  -0.419992D+01  0.180125D+02 -0.114492D+02  0.676481D+01 -0.113607D+02
      3  -0.150614D+02  0.228607D-04 -0.837877D+01  0.153920D+02 -0.407234D+01
                61            62            63            64            65 
      1   0.132430D+01 -0.689774D+00  0.246334D+01  0.380879D+01 -0.360086D+01
      2   0.164830D+02 -0.520236D+01  0.163201D+02  0.173734D+02 -0.101866D+02
      3   0.255509D+00 -0.793713D+01  0.460580D+01  0.255334D+01  0.291538D+01
                66            67            68            69            70 
      1  -0.383417D+01 -0.535500D+01 -0.366588D+01 -0.457002D+01 -0.638482D+01
      2  -0.617476D+01 -0.956579D+01 -0.166071D+02  0.601987D+01 -0.200374D+02
      3   0.673134D+01  0.138345D+02 -0.323026D+01  0.217794D+02  0.614878D+01
                71            72            73            74            75 
      1   0.619247D+00 -0.540124D+00 -0.179400D+00 -0.344994D+01 -0.805802D+01
      2   0.864323D+01 -0.357412D+01  0.413245D+01 -0.187375D+01  0.141032D+02
      3   0.204797D+02 -0.346011D+01  0.366429D+00 -0.532923D+01  0.648779D-01
                76            77            78            79            80 
      1   0.817922D-01 -0.347597D+01  0.596932D+01 -0.602157D+01  0.112699D+02
      2   0.265225D+01 -0.748486D+01  0.111837D+01  0.374952D+01 -0.728454D+00
      3   0.254237D+00 -0.131507D+02  0.119201D+02 -0.219263D+00  0.113995D+02
                81            82            83            84            85 
      1   0.145188D+01  0.736875D+00  0.107606D+02  0.808786D+01  0.136464D+02
      2   0.797442D+01 -0.327472D+00 -0.195153D+01 -0.601632D+00 -0.290586D+01
      3   0.860362D+01  0.280931D+01 -0.140591D+02  0.211010D+01 -0.456670D+01
                86            87            88            89            90 
      1   0.474045D+01 -0.755015D+01  0.576744D+01 -0.169885D+01 -0.425078D+01
      2  -0.349841D+01  0.211200D+01 -0.720791D+01  0.284601D+01  0.260429D+01
      3   0.733202D+01 -0.392763D+01  0.355936D+01 -0.780618D+01 -0.100621D+02
                91            92            93            94            95 
      1   0.390471D+01 -0.320015D+01 -0.540041D+01  0.339340D+00  0.333401D+01
      2  -0.109287D+02 -0.849213D+00  0.796431D+01 -0.334115D+00 -0.460400D+01
      3  -0.122863D+01 -0.201259D+02 -0.352150D+01 -0.112353D+02  0.159669D+01
                96            97            98            99           100 
      1  -0.171255D+01  0.261104D+01  0.994185D+01 -0.844284D+01  0.125101D+01
      2  -0.297298D+01 -0.262298D+01 -0.805375D+01  0.167838D+02  0.197044D+01
      3   0.624660D+01 -0.177613D+01  0.875604D+01  0.100542D+02  0.442454D+01
               101           102           103           104           105 
      1  -0.264898D+01 -0.210098D+01 -0.485552D+00 -0.840192D+00 -0.188207D+01
      2  -0.362152D+00  0.392775D+01  0.115378D+01 -0.701789D-01  0.126118D+01
      3  -0.538687D+01 -0.102656D+01 -0.259261D+00 -0.180195D+01 -0.979837D-01
               106           107           108           109           110 
      1  -0.955884D+00  0.486173D+00  0.161003D+01  0.138058D+01  0.260764D+01
      2  -0.136395D+01  0.124811D+01 -0.386581D+01 -0.731562D+01  0.112191D+01
      3  -0.110080D+01  0.766239D+00 -0.516449D+00 -0.364963D+01  0.137712D+01
               111           112           113           114           115 
      1   0.409009D+01  0.929772D+00  0.147419D+01 -0.681548D+00  0.205600D+01
      2  -0.873572D+01  0.523952D+00 -0.209024D+01  0.289886D+00 -0.864520D+01
      3  -0.301880D+01  0.185716D+01 -0.157824D+00  0.998015D+00 -0.271662D+01
               116           117           118           119           120 
      1   0.258924D+01  0.689057D+01 -0.153157D+01  0.125069D+01 -0.532120D+00
      2   0.214358D+01 -0.165210D+02 -0.415412D+01  0.114065D+01  0.996818D+00
      3   0.169878D+01 -0.479838D+01  0.835201D+00 -0.184191D+01  0.719876D+00
               121           122           123           124           125 
      1   0.242851D+01 -0.750632D+00  0.936917D+00  0.191798D+01  0.485646D+01
      2   0.556128D+01 -0.257226D+00 -0.842393D+00 -0.350309D+01 -0.860430D+00
      3   0.108439D+01  0.313423D-01 -0.107879D+01  0.474160D+00 -0.102600D+01
               126           127           128           129           130 
      1  -0.297314D+01  0.812567D+00 -0.253836D+01  0.229893D+01 -0.113347D+01
      2   0.477418D+01  0.452696D+00  0.704786D-01  0.437845D+00  0.548554D+00
      3   0.135439D+01 -0.153903D+02  0.886582D+01  0.615909D+00  0.104734D+02
               131           132           133           134           135 
      1   0.228810D+01 -0.373343D+01  0.774390D+00 -0.989860D+00  0.144316D+01
      2   0.368068D+00 -0.517770D+00 -0.120565D+01  0.883031D+00 -0.467811D+00
      3  -0.134609D+02 -0.160904D+00 -0.222317D+01  0.272367D+01 -0.163564D+01
               136           137           138           139           140 
      1  -0.276972D+01 -0.209365D+01 -0.526182D+01 -0.168358D+01 -0.212475D+01
      2  -0.111747D+01  0.832631D+00  0.323326D+01  0.170228D+00  0.138179D+01
      3   0.523128D+01 -0.212367D+00  0.153576D+01  0.280440D+01 -0.292048D+01
               141           142           143           144           145 
      1  -0.334704D+01 -0.372910D+01 -0.131791D+01 -0.618686D+01  0.121894D+01
      2   0.201612D+01 -0.296092D+00  0.193368D+01  0.310424D+01 -0.886934D+00
      3  -0.247271D+00  0.282372D+01 -0.630777D+00  0.144207D+01  0.429542D+01
               146           147           148           149           150 
      1   0.183020D+01 -0.111185D+01  0.104192D+01  0.124367D+02 -0.812554D+01
      2  -0.589218D+00  0.589923D+00 -0.514332D+00  0.767014D+00 -0.122517D+01
      3   0.238943D+01 -0.934943D+00  0.537589D+01  0.139819D+02 -0.325664D+01
               151           152           153           154           155 
      1  -0.639618D+00 -0.626984D+01  0.635545D+01 -0.471511D+01  0.279163D+01
      2  -0.807233D+00 -0.144435D+01  0.167440D+01 -0.148464D+02  0.570333D+00
      3  -0.304091D+01 -0.752432D+01  0.309458D+01  0.133328D+02 -0.867656D+00
               156           157           158           159           160 
      1  -0.361136D+01  0.189968D+01 -0.753116D+00 -0.324175D+00 -0.334301D+01
      2  -0.384181D+01  0.289028D+01 -0.138858D+01  0.774592D+00 -0.694812D+01
      3   0.450547D+01  0.147865D-01  0.139152D+01 -0.590143D+00  0.390439D+01
               161           162           163           164           165 
      1   0.969897D+00 -0.358878D+01 -0.421199D+01 -0.995673D-01  0.491413D+01
      2  -0.712229D+00 -0.491669D+01 -0.138378D+00  0.168110D+01  0.354189D+01
      3  -0.785896D+00  0.397208D+01 -0.421211D+01 -0.272378D+01  0.213342D+01
               166           167           168           169           170 
      1   0.656340D+00  0.325128D+00 -0.254096D+01  0.412853D+01 -0.867071D+00
      2  -0.615437D+00 -0.494728D+00 -0.724744D+00 -0.169061D+01 -0.232548D+01
      3   0.986405D+00  0.148499D+01 -0.321487D+00  0.440171D+01  0.840950D+00
               171           172           173           174           175 
      1  -0.762139D+01 -0.359667D+01  0.923988D+00  0.273206D+01  0.159241D+01
      2  -0.624488D+01 -0.132689D+02  0.451324D+01  0.109070D+02  0.393668D+01
      3  -0.101365D+01 -0.154479D+00 -0.591891D+01 -0.109261D+01 -0.402499D+01
               176           177           178           179           180 
      1  -0.568542D+00 -0.160907D+01  0.322342D+01  0.225472D+00 -0.295036D+01
      2  -0.179760D+01 -0.364054D+01  0.113032D+02 -0.429631D+01 -0.121880D+02
      3   0.358149D+01 -0.202900D-01 -0.839466D+00  0.312338D+01  0.134108D+01
               181           182           183           184           185 
      1   0.195359D+01  0.212798D+01  0.119850D+01  0.217411D+01  0.553046D+01
      2   0.180196D+01  0.248616D+01  0.492680D+01  0.307626D+01  0.687029D+01
      3  -0.640115D+01 -0.644987D+01 -0.460177D+01 -0.613819D+01 -0.151446D+02
               186           187           188           189           190 
      1   0.160235D+01  0.212322D+01  0.436773D+01  0.226968D+01 -0.272448D+00
      2   0.714524D+01  0.440897D+01  0.431189D+01  0.935314D+01  0.127237D+01
      3  -0.926243D+01 -0.453498D+01 -0.940511D+01 -0.631511D+01  0.309815D+01
               191           192           193           194           195 
      1   0.671987D-01  0.821486D-02 -0.353577D-01 -0.178147D+01 -0.249594D+01
      2   0.176245D+01 -0.492931D-01  0.192644D-01  0.109664D+02 -0.100095D+02
      3   0.773874D+00 -0.148664D+01 -0.139455D+01  0.182051D+02 -0.113597D+02
               196           197           198           199           200 
      1   0.948131D+00  0.167114D+01  0.251967D+01 -0.362277D-01 -0.125315D+01
      2   0.210191D+01 -0.963335D+01  0.121427D+02 -0.278010D+00  0.134753D+01
      3   0.242326D+00 -0.121731D+02  0.914777D+01  0.339360D+00 -0.251373D+00
               201           202           203           204           205 
      1  -0.406019D+00 -0.256701D+01 -0.609227D+01 -0.142057D+01 -0.503901D+01
      2  -0.428430D+00  0.200656D+01  0.107723D+01  0.478079D+00 -0.350487D+01
      3   0.290964D+00  0.302429D+01 -0.236252D+01 -0.807604D-01 -0.133641D+01
               206           207           208           209           210 
      1   0.259804D+01 -0.122382D+01  0.104726D+01  0.716147D-01 -0.712916D-01
      2   0.207657D-01  0.360757D+00  0.255870D+01 -0.335238D+00  0.371517D+00
      3   0.513014D+00 -0.974310D+00  0.338466D+01  0.143226D+01 -0.478763D+00
               211           212           213           214           215 
      1  -0.677429D+00  0.652456D+00 -0.363655D+01 -0.176168D+01  0.147109D+00
      2  -0.285888D+00  0.353933D+01 -0.242546D+01 -0.413920D+01 -0.224857D+01
      3   0.699266D+01  0.130240D+02 -0.319706D+01 -0.115335D+01 -0.404764D+01
               216           217           218           219           220 
      1   0.771809D+00 -0.462221D-01 -0.377571D+00  0.135403D+01 -0.127323D+01
      2   0.858469D+00 -0.137018D+01  0.835344D+00 -0.173343D+01  0.170778D+01
      3   0.230617D+01 -0.788426D+00  0.256833D+01 -0.171227D+01  0.118453D+01
               221           222           223           224           225 
      1   0.761357D+00 -0.176253D+01 -0.166289D+01 -0.211823D+01  0.131522D+02
      2  -0.305749D+01  0.328214D+01  0.108048D+00  0.707608D+01 -0.258755D+02
      3  -0.408616D+01  0.318440D+01 -0.503933D+00  0.513108D+01 -0.701527D+01
               226           227           228           229           230 
      1  -0.245268D+01 -0.732029D+00 -0.221887D+01 -0.852182D+00 -0.840684D+00
      2   0.644132D+01  0.176406D+01  0.664151D+01  0.159871D+01  0.184149D+01
      3   0.447086D+01 -0.498303D+01  0.669191D+00  0.224600D+00 -0.113597D+01
               231           232           233           234           235 
      1  -0.141419D+01 -0.130210D+01 -0.690056D-01 -0.341729D+00 -0.984359D+00
      2   0.154410D+01  0.335993D+01  0.184850D+01  0.102044D+01  0.347225D+01
      3  -0.120799D+01  0.267233D+00 -0.238914D+01 -0.917395D+00 -0.732517D+01
               236           237           238           239           240 
      1   0.353794D+01  0.254805D+01  0.193044D+01 -0.529281D+01 -0.430432D+01
      2  -0.240121D+01 -0.253113D+01 -0.109299D+01  0.550021D+01  0.465905D+01
      3   0.119275D+02  0.427972D+01  0.819724D+01 -0.198175D+02 -0.637632D+01
               241           242           243 
      1   0.320592D+00 -0.417902D+01 -0.324230D+01
      2  -0.194813D+01  0.669986D+01  0.376261D+01
      3   0.345807D+01 -0.993751D+01 -0.812808D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.135963D+02 -0.141300D+01  0.736749D+01 -0.521044D+01  0.138942D+01
      2   0.631494D+01 -0.655546D+01 -0.206195D+01 -0.235701D+01 -0.185795D+02
      3  -0.199113D+02  0.796846D+01 -0.530553D+01  0.756745D+01  0.171900D+02
      4  -0.817523D+00 -0.287463D+01 -0.208366D+02 -0.296558D+01  0.121205D+02
      5   0.148973D+02 -0.120029D+02 -0.175101D+02 -0.106388D+02 -0.813653D+01
      6  -0.148904D+02  0.125364D+02  0.108439D+02  0.771942D+01  0.134412D+02
                 6             7             8             9            10 
      1  -0.171450D+02  0.645975D+01 -0.191292D+02 -0.120981D+01 -0.134590D+02
      2   0.227239D+02 -0.164970D+01  0.289159D+02  0.263512D+01  0.494254D+01
      3  -0.557889D+01 -0.481005D+01 -0.978664D+01 -0.142531D+01  0.851642D+01
      4  -0.287424D+01 -0.235086D+02 -0.667119D+00  0.132185D+02  0.243258D+01
      5   0.848934D+01 -0.191922D+02  0.134103D+02  0.133853D+02 -0.272909D+02
      6   0.441271D+00  0.121059D+02 -0.365933D+01 -0.776059D+01  0.842294D+01
                11            12            13            14            15 
      1   0.309399D+01 -0.201134D+02  0.736143D+01  0.103398D+02  0.144211D+02
      2  -0.448946D+00  0.579064D+01 -0.344240D+01  0.134033D+01 -0.761982D+01
      3  -0.264504D+01  0.143228D+02 -0.391903D+01 -0.116801D+02 -0.680133D+01
      4   0.724153D+01  0.132553D+02  0.868427D+01 -0.240456D+02  0.139306D+02
      5   0.104468D+02  0.438926D+01  0.114413D+02  0.190778D+02 -0.856602D+01
      6  -0.871186D+01 -0.303249D+01  0.458842D+00  0.282584D+00 -0.661210D+01
                16            17            18            19            20 
      1  -0.228637D+02  0.176243D+02 -0.950862D+00  0.253458D+02  0.394418D+01
      2   0.373239D+01 -0.158889D+02 -0.442629D+01 -0.801831D+01 -0.683293D+01
      3   0.191313D+02 -0.173540D+01  0.537715D+01 -0.173275D+02  0.288875D+01
      4   0.165848D+02  0.995104D+01 -0.825335D+01  0.113232D+00 -0.488195D+01
      5   0.136387D+02 -0.958394D+01 -0.678971D+00  0.238279D+01 -0.866680D+00
      6  -0.700072D+01 -0.996906D+00  0.181824D+01 -0.305846D+01  0.278813D+01
                21            22            23            24            25 
      1   0.605519D+01  0.595496D+01 -0.360229D+01 -0.771904D+01  0.229238D+02
      2   0.458785D+01 -0.614709D+01 -0.625772D+01 -0.352711D+00  0.614902D+01
      3  -0.106430D+02  0.192128D+00  0.986001D+01  0.807175D+01 -0.290729D+02
      4  -0.266602D+01 -0.844851D+01 -0.292136D+01  0.254392D+01 -0.100957D+02
      5  -0.477431D+01 -0.361457D+01  0.917826D-01  0.695973D+01 -0.137698D+02
      6   0.344093D+01 -0.490120D+00 -0.554200D+01  0.259858D+01  0.398292D+01
                26            27            28            29            30 
      1  -0.108700D+02  0.193081D+02 -0.100851D+03  0.100042D+02 -0.131948D+02
      2   0.572250D+01  0.102892D+02  0.399593D+02 -0.604305D+01  0.432993D+01
      3   0.514750D+01 -0.295973D+02  0.608921D+02 -0.396110D+01  0.886482D+01
      4   0.577058D+01  0.853011D+01  0.171065D+02 -0.110875D+02  0.904818D+00
      5   0.100331D+02 -0.173709D+02 -0.553653D+01 -0.109188D+01 -0.104470D+02
      6   0.382651D+00 -0.409871D+00  0.693323D+01  0.297538D+01  0.230920D+01
                31            32            33            34            35 
      1   0.388099D+02 -0.525546D+01  0.270768D+01 -0.417122D+02 -0.152020D+01
      2  -0.181798D+02  0.346715D+01  0.437512D+00  0.108023D+02  0.327160D+01
      3  -0.206301D+02  0.178832D+01 -0.314519D+01  0.309099D+02 -0.175140D+01
      4  -0.111934D+02 -0.165380D+01  0.164387D+01  0.893044D+01 -0.350685D+01
      5   0.753292D+01  0.343076D+01  0.139897D+01 -0.837220D+01 -0.183563D+01
      6   0.154274D+01  0.939518D+01 -0.137228D+01  0.737380D-01  0.367718D+01
                36            37            38            39            40 
      1  -0.292288D+02  0.147482D+03 -0.235058D+02  0.307155D+02 -0.162802D+02
      2  -0.562102D+00 -0.646713D+02  0.102300D+02 -0.109741D+02  0.323706D+01
      3   0.297909D+02 -0.828110D+02  0.132757D+02 -0.197415D+02  0.130431D+02
      4   0.245465D+01 -0.444345D+02  0.135109D+02 -0.556067D+01  0.157138D+02
      5  -0.150317D+02  0.253954D+02 -0.146114D+01  0.214612D+02  0.452495D+01
      6   0.555828D+01 -0.108407D+02 -0.132563D+01 -0.458016D+01 -0.195178D+01
                41            42            43            44            45 
      1   0.103992D+02 -0.921591D+01  0.392361D+02 -0.101987D+02  0.106529D+02
      2  -0.894297D+01  0.313565D+01 -0.174130D+02  0.830230D+01 -0.795148D+01
      3  -0.145620D+01  0.608026D+01 -0.218231D+02  0.189637D+01 -0.270143D+01
      4   0.911870D+01 -0.648979D+01 -0.680907D+01 -0.732250D+01 -0.418936D+01
      5  -0.867331D+01 -0.179945D+01  0.285754D+02 -0.469349D+01  0.778920D+01
      6   0.604728D+01  0.444167D+01 -0.934230D+01  0.537966D+01  0.126141D+00
                46            47            48            49            50 
      1  -0.128777D+03  0.364820D+02 -0.268730D+02  0.360861D+02 -0.223398D+02
      2   0.594701D+02 -0.178276D+02  0.153853D+02 -0.244056D+02  0.451374D+01
      3   0.693066D+02 -0.186544D+02  0.114877D+02 -0.116804D+02  0.178261D+02
      4   0.616734D+02 -0.287821D+02  0.169312D+02 -0.351185D+02 -0.140091D+02
      5  -0.448273D+02  0.131272D+02 -0.256946D+02  0.237856D+02  0.954471D-01
      6   0.175500D+02 -0.655902D+01  0.221781D+01  0.102925D+01  0.514337D+01
                51            52            53            54            55 
      1   0.142152D+02 -0.500337D+02  0.153342D+02 -0.181743D+02  0.142233D+03
      2  -0.120192D+02  0.245042D+02 -0.380264D+01  0.614433D+01 -0.700258D+02
      3  -0.219597D+01  0.255295D+02 -0.115315D+02  0.120300D+02 -0.722072D+02
      4   0.396317D+00  0.330095D+02 -0.110577D+01  0.733668D+01 -0.621807D+02
      5   0.214351D+01 -0.157374D+02  0.523254D+01 -0.143718D+02  0.396402D+02
      6  -0.595110D+01  0.133884D+01  0.108801D+01  0.558429D+01 -0.889480D+01
                56            57            58            59            60 
      1  -0.384529D+02  0.279894D+02 -0.765629D+02  0.281357D+02 -0.135598D+02
      2   0.149165D+02 -0.175057D+02  0.308751D+02 -0.260770D+01  0.811087D+01
      3   0.235364D+02 -0.104837D+02  0.456879D+02 -0.255280D+02  0.544896D+01
      4   0.370565D+02 -0.133052D+02  0.640455D+02 -0.444104D+02  0.167255D+02
      5  -0.114316D+02  0.302975D+02 -0.246527D+02  0.143714D+02 -0.155938D+02
      6   0.463797D+01 -0.557795D+01  0.100413D+02 -0.703698D+01  0.116980D+02
                61            62            63            64            65 
      1   0.488069D+02 -0.771079D+01  0.254492D+02 -0.118840D+02  0.175868D+01
      2  -0.289568D+02  0.527607D+01 -0.214335D+02  0.432224D+01  0.180658D+01
      3  -0.198501D+02  0.243472D+01 -0.401571D+01  0.756172D+01 -0.356527D+01
      4  -0.221907D+02  0.117792D+02 -0.210943D+02  0.125314D+01 -0.879944D+01
      5   0.502633D+02 -0.197536D+02  0.364113D+02  0.350011D+02 -0.207276D+02
      6  -0.971653D+01  0.108778D+02 -0.961789D+01 -0.108720D+02  0.283230D+01
                66            67            68            69            70 
      1   0.297084D+02 -0.340052D+01 -0.531273D+01 -0.289369D+02  0.420865D+02
      2  -0.118560D+02  0.607503D+01  0.507485D+01  0.196442D+02 -0.167805D+02
      3  -0.178524D+02 -0.267451D+01  0.237876D+00  0.929267D+01 -0.253060D+02
      4  -0.230868D+02 -0.161111D+02  0.672510D+01 -0.273367D+02 -0.247410D+02
      5  -0.780722D+01 -0.200980D+02 -0.299759D+02  0.429855D+01 -0.203594D+02
      6  -0.377534D+00 -0.138942D+01  0.106303D+02 -0.116702D+02  0.293887D+01
                71            72            73            74            75 
      1  -0.306784D+02 -0.111341D+02 -0.187743D+02 -0.138407D+02  0.223973D+02
      2   0.213699D+02  0.520105D+01  0.115778D+02  0.722308D+01  0.275739D+01
      3   0.930848D+01  0.593302D+01  0.719650D+01  0.661761D+01 -0.251547D+02
      4  -0.249473D+02  0.915935D+01 -0.238529D+02 -0.940360D+01  0.141081D+02
      5   0.792573D+01 -0.575919D+01  0.255795D+02  0.132737D+02 -0.304586D+01
      6  -0.129126D+02  0.307131D+01  0.117974D+02  0.987176D+01  0.318914D+01
                76            77            78            79            80 
      1  -0.130867D+02 -0.893726D+01  0.131489D+02  0.142866D+02  0.810822D+01
      2   0.998263D+01  0.218671D+01 -0.141863D+02  0.366766D+01 -0.717726D+01
      3   0.310407D+01  0.675054D+01  0.103744D+01 -0.179543D+02 -0.930954D+00
      4  -0.685067D+01  0.221144D+02 -0.902667D+01  0.966592D+01 -0.437785D+01
      5   0.161927D+02 -0.160073D+02 -0.623809D+01  0.111665D+01 -0.500058D+01
      6   0.178075D+01 -0.122218D+02  0.221688D+01  0.458299D+01 -0.124122D+01
                81            82            83            84            85 
      1   0.147349D+02  0.473156D+01 -0.123009D+02  0.416352D+01 -0.922447D+01
      2  -0.318451D+01 -0.793481D+01  0.187089D+02 -0.123159D+02  0.121579D+02
      3  -0.115504D+02  0.320325D+01 -0.640804D+01  0.815238D+01 -0.293338D+01
      4  -0.304658D+00 -0.530761D+01 -0.569567D+01 -0.121321D+02 -0.489708D+00
      5   0.565922D-01 -0.669914D+01 -0.128454D+02 -0.114113D+02 -0.124806D+02
      6   0.353268D+01 -0.606891D+01 -0.141383D+02 -0.137191D+02 -0.946184D+01
                86            87            88            89            90 
      1   0.477150D+01 -0.353206D+01  0.992509D+01 -0.473188D+01 -0.127304D+02
      2  -0.277865D+01 -0.307136D+00 -0.183475D+02 -0.203681D+01  0.919010D+01
      3  -0.199286D+01  0.383920D+01  0.842243D+01  0.676869D+01  0.354034D+01
      4   0.596506D+01 -0.103352D+02 -0.121182D+02 -0.161824D+02 -0.866067D+01
      5  -0.476407D+01  0.200827D+01 -0.141386D+02 -0.268707D+01  0.281336D+01
      6  -0.197004D+01 -0.187153D+01 -0.143623D+02 -0.131772D+01  0.783969D+00
                91            92            93            94            95 
      1  -0.571773D+02 -0.293023D+02 -0.144190D+02 -0.122957D+02  0.212554D+02
      2   0.233344D+02  0.239122D+02  0.113168D+02  0.145257D+02 -0.854283D+01
      3   0.338430D+02  0.539011D+01  0.310227D+01 -0.222999D+01 -0.127125D+02
      4  -0.252370D+02  0.149967D+02 -0.568015D+01  0.221895D+02  0.156137D+02
      5  -0.127732D+02 -0.243031D+01  0.121879D+02 -0.406337D+01 -0.123095D+02
      6  -0.616713D+01  0.109791D+01  0.649812D+01 -0.150002D+01 -0.105502D+02
                96            97            98            99           100 
      1   0.297814D+01 -0.227405D+02  0.298667D+00  0.194763D+02  0.491552D+02
      2  -0.797833D+01  0.118496D+02 -0.117018D+02 -0.402003D+01 -0.258051D+02
      3   0.500019D+01  0.108909D+02  0.114032D+02 -0.154563D+02 -0.233501D+02
      4  -0.100720D+02 -0.929590D+01 -0.103426D+02 -0.979825D+01  0.350306D+02
      5  -0.617883D+01  0.498877D+01 -0.118133D+02  0.300283D+02 -0.344095D+02
      6  -0.997043D+00  0.250479D+01 -0.734405D+01  0.141335D+02 -0.136749D+02
               101           102           103           104           105 
      1   0.117598D+02 -0.150184D+02  0.907335D+01  0.592985D+01 -0.265977D+01
      2  -0.267453D+01  0.102394D+02 -0.142593D+01  0.258687D+01  0.165341D+01
      3  -0.908525D+01  0.477904D+01 -0.764743D+01 -0.851672D+01  0.100636D+01
      4   0.223584D+02 -0.144260D+02  0.186718D+02  0.136648D+02 -0.780383D+01
      5  -0.123498D+02  0.211055D+02 -0.935708D+01 -0.760458D+01  0.656788D+01
      6  -0.938701D+01  0.860713D+01 -0.797097D+01 -0.527921D+01  0.612480D+01
               106           107           108           109           110 
      1  -0.102355D+02 -0.260145D+01  0.416662D+01 -0.528270D+01  0.537925D+01
      2   0.731451D+01  0.281309D+01 -0.680439D+01 -0.188423D+01 -0.353166D+01
      3   0.292096D+01 -0.211636D+00  0.263777D+01  0.716693D+01 -0.184759D+01
      4  -0.967403D+01 -0.590029D+01  0.940264D+01 -0.157723D+00 -0.107895D+01
      5   0.172946D+02  0.782051D+01 -0.145021D+02 -0.990768D+00 -0.133021D+01
      6   0.712291D+01  0.544138D+01 -0.775117D+01 -0.484386D+01  0.332001D+01
               111           112           113           114           115 
      1  -0.155333D+02  0.182225D+01 -0.469960D+01  0.842801D+00 -0.104687D+02
      2  -0.247465D+01 -0.154703D+01  0.944889D+00 -0.136054D+01  0.912565D+00
      3   0.180079D+02 -0.275216D+00  0.375471D+01  0.517742D+00  0.955612D+01
      4  -0.314453D+01  0.158380D+01 -0.144590D+01 -0.101085D+01 -0.279059D+01
      5  -0.225002D+01 -0.146051D+01  0.509099D+00  0.555760D+00  0.199626D+01
      6  -0.778438D+01  0.190779D+01 -0.201239D+01  0.718729D+01 -0.238048D+01
               116           117           118           119           120 
      1   0.463321D+01 -0.263517D+02 -0.912324D+00  0.318876D+00 -0.130838D+01
      2  -0.108861D+01 -0.927977D+01 -0.679522D+01  0.652095D+00 -0.514206D+01
      3  -0.354460D+01  0.356315D+02  0.770754D+01 -0.970972D+00  0.645044D+01
      4  -0.347570D+01  0.125330D+01 -0.768778D+00  0.406058D+01 -0.845160D+00
      5   0.323001D+01 -0.143662D+02  0.809021D+01 -0.210863D+01  0.132755D+02
      6   0.765639D+01 -0.162230D+02 -0.750684D+00  0.913066D+00 -0.175004D-01
               121           122           123           124           125 
      1   0.504751D+01 -0.528754D+01  0.381180D+01 -0.686948D+01  0.174797D+01
      2  -0.158207D+01  0.137755D+00  0.331742D+01 -0.690194D+01  0.357437D+01
      3  -0.346544D+01  0.514979D+01 -0.712922D+01  0.137714D+02 -0.532234D+01
      4   0.269605D+01 -0.117663D+01  0.336506D+01  0.569604D+00  0.273413D+01
      5  -0.261139D+01  0.407025D+01 -0.346927D+01  0.168296D+02 -0.361901D+01
      6   0.165429D+01 -0.135756D+01  0.751303D+01  0.541577D+00  0.572450D+01
               126           127           128           129           130 
      1  -0.278906D+02 -0.857368D+01  0.168278D+02  0.263330D+00  0.100529D+02
      2  -0.217994D+02  0.122005D+02 -0.238205D+02  0.903721D+00 -0.141531D+02
      3   0.496900D+02 -0.362684D+01  0.699262D+01 -0.116705D+01  0.410020D+01
      4  -0.228440D+01 -0.683640D+01  0.423120D+01  0.177663D+01  0.620930D+01
      5   0.257209D+02 -0.442712D+00  0.154551D+01  0.148337D+01  0.189265D+01
      6  -0.611494D+00  0.205699D+00  0.615413D+00 -0.250043D+01  0.460261D+00
               131           132           133           134           135 
      1  -0.257796D+02 -0.300023D+00 -0.244823D+01  0.397607D+01 -0.362432D+01
      2   0.388305D+02  0.379902D+00  0.335587D+01 -0.521336D+01  0.345369D+01
      3  -0.130509D+02 -0.798792D-01 -0.907637D+00  0.123728D+01  0.170631D+00
      4  -0.470427D+00  0.955939D+00  0.227400D+00  0.604742D+00  0.672827D+00
      5   0.712296D-01  0.508781D+00  0.280039D+01  0.132663D+01 -0.696228D+00
      6   0.602935D+00  0.603543D+01 -0.909806D+00  0.673052D+01 -0.172984D+01
               136           137           138           139           140 
      1   0.890238D+01  0.973069D+00  0.178068D+01  0.152972D+01 -0.697228D+01
      2   0.208290D+01  0.678154D+01  0.228943D+01  0.471586D+01  0.163719D+02
      3  -0.109853D+02 -0.775461D+01 -0.407011D+01 -0.624558D+01 -0.939966D+01
      4   0.221301D+02  0.203666D+02  0.121331D+02  0.156450D+02  0.197988D+02
      5   0.134097D+02  0.997629D+01  0.129444D+02  0.703063D+01  0.991747D+01
      6   0.106495D+02  0.107880D+02  0.115304D+02  0.793270D+01  0.138948D+02
               141           142           143           144           145 
      1  -0.361946D+01  0.409367D+00 -0.538234D+01 -0.358474D+01 -0.350545D+01
      2   0.713776D+01  0.265695D+01  0.873666D+01  0.166794D+01  0.480572D+01
      3  -0.351829D+01 -0.306632D+01 -0.335432D+01  0.191680D+01 -0.130027D+01
      4   0.109963D+02  0.129621D+02  0.146320D+02  0.138923D+02 -0.141061D+01
      5   0.738271D+01  0.124349D+02  0.108540D+02  0.147921D+02  0.956480D-01
      6   0.108334D+02  0.113855D+02  0.149136D+02  0.168252D+02 -0.535092D-01
               146           147           148           149           150 
      1  -0.583732D+01  0.813878D+00 -0.373483D+01 -0.247316D+02  0.413870D+01
      2   0.708521D+01 -0.146657D+01  0.347553D+01  0.483616D+02 -0.117476D+02
      3  -0.124789D+01  0.652694D+00  0.259303D+00 -0.236301D+02  0.760891D+01
      4   0.569771D+01  0.356087D+00  0.665850D+01 -0.194423D+02  0.330992D+01
      5   0.182430D+01  0.233147D+01  0.151498D+01  0.548830D+01 -0.475097D+01
      6  -0.105674D+01  0.128280D+00 -0.107043D+01 -0.162661D+01  0.802594D+01
               151           152           153           154           155 
      1   0.218160D+01  0.112081D+02 -0.438517D+01 -0.989378D+01 -0.496766D+01
      2  -0.139665D+01 -0.216806D+02  0.795911D+01 -0.249620D+01  0.603660D+01
      3  -0.784952D+00  0.104725D+02 -0.357394D+01  0.123900D+02 -0.106894D+01
      4  -0.192595D+01  0.952751D+01 -0.509234D+01  0.140510D+02 -0.680503D+00
      5   0.209342D+01 -0.572412D+01  0.357738D+01  0.657543D+01  0.461931D+00
      6  -0.496591D+00  0.757181D+01 -0.714803D+01  0.515004D+01  0.394700D+01
               156           157           158           159           160 
      1  -0.108791D+02  0.482370D+00 -0.222251D+01  0.312715D+01 -0.879077D+01
      2  -0.715926D+00  0.233836D+01  0.230784D+01 -0.678503D+00 -0.937971D+00
      3   0.115950D+02 -0.282073D+01 -0.853256D-01 -0.244865D+01  0.972874D+01
      4   0.631991D+01 -0.664167D+00  0.180632D+01  0.515206D+00  0.754581D+01
      5   0.377209D+01  0.153018D+00  0.209327D+01  0.709317D+00  0.533821D+01
      6   0.588848D+01  0.225467D+01 -0.155547D+01  0.142871D+01  0.365267D+01
               161           162           163           164           165 
      1   0.319745D+00 -0.101496D+02  0.110960D+02  0.143512D+00 -0.258137D+01
      2  -0.100486D+01 -0.277643D+01 -0.109620D+02 -0.138819D+01  0.801031D+01
      3   0.685117D+00  0.129260D+02 -0.134029D+00  0.124467D+01 -0.542894D+01
      4   0.613651D+00  0.295897D+01 -0.186169D+02  0.153139D+02  0.152585D+02
      5  -0.145999D+01  0.162214D+00 -0.240433D+02  0.119259D+02  0.229411D+02
      6   0.396693D+01  0.663595D+01  0.129139D+02 -0.114689D+02 -0.138251D+02
               166           167           168           169           170 
      1   0.890360D+00 -0.314598D+01 -0.220266D+01 -0.364203D+01 -0.352396D+01
      2  -0.199298D+01  0.580176D+01  0.958436D+00  0.847658D+01 -0.722256D+00
      3   0.110262D+01 -0.265577D+01  0.124422D+01 -0.483455D+01  0.424622D+01
      4   0.995602D+01 -0.109976D+02 -0.808304D+01  0.151799D+02 -0.115053D+02
      5   0.558799D+01 -0.761917D+01 -0.646287D+01  0.221840D+02 -0.132538D+02
      6  -0.761764D+01  0.820256D+01  0.101954D+02 -0.129980D+02  0.146558D+02
               171           172           173           174           175 
      1  -0.660328D+01  0.687123D+02 -0.139507D+02 -0.204479D+02 -0.127984D+02
      2  -0.100203D+02 -0.323415D+02  0.388574D+01  0.892022D+01  0.262721D+01
      3   0.166236D+02 -0.363708D+02  0.100650D+02  0.115277D+02  0.101712D+02
      4  -0.160058D+02 -0.233967D+02  0.149832D+02  0.856686D+01  0.188312D+02
      5  -0.285226D+02 -0.210356D+02  0.655023D+01  0.166096D+02  0.580951D+01
      6   0.217400D+02  0.478848D+01 -0.149906D+01 -0.328739D+01 -0.177550D+01
               176           177           178           179           180 
      1   0.975632D+01  0.589832D+01 -0.423751D+02  0.106787D+02  0.166114D+02
      2  -0.221146D+01 -0.185966D+01  0.202322D+02 -0.382368D+01 -0.954953D+01
      3  -0.754486D+01 -0.403866D+01  0.221429D+02 -0.685502D+01 -0.706182D+01
      4  -0.119064D+02 -0.351180D+01  0.167713D+02 -0.971985D+01 -0.859203D+01
      5  -0.250999D+01 -0.494099D+01  0.243608D+02 -0.763493D+01 -0.212587D+02
      6   0.811766D+00  0.429419D+01 -0.510262D+01  0.456953D+01  0.493139D+01
               181           182           183           184           185 
      1   0.221358D+02  0.104373D+02  0.792605D+01  0.226807D+02  0.911390D+01
      2  -0.137135D+02 -0.724395D+01 -0.717256D+01 -0.145342D+02 -0.626936D+01
      3  -0.842228D+01 -0.319339D+01 -0.753497D+00 -0.814649D+01 -0.284454D+01
      4   0.101997D+02  0.107221D+02  0.803344D+01  0.147184D+02  0.233982D+02
      5   0.113061D+02  0.939770D+01  0.127419D+02  0.159191D+02  0.155212D+02
      6   0.310454D+01  0.157018D+01  0.130136D+01  0.247575D+01  0.493911D+01
               186           187           188           189           190 
      1   0.107988D+02  0.108994D+02  0.740767D+01  0.959256D+01  0.128379D+01
      2  -0.106952D+02 -0.101450D+02 -0.819971D+01 -0.126402D+02  0.168938D+00
      3  -0.103680D+00 -0.754425D+00  0.792034D+00  0.304767D+01 -0.145273D+01
      4   0.147475D+02  0.872053D+01  0.138977D+02  0.907684D+01 -0.458014D+01
      5   0.161371D+02  0.190475D+02  0.105798D+02  0.223798D+02  0.599469D+00
      6   0.508680D+01  0.114718D+01  0.580644D+01  0.251152D+01 -0.227988D+01
               191           192           193           194           195 
      1  -0.761305D+01  0.319776D+01 -0.955949D+01 -0.892612D+01  0.815335D+01
      2   0.455214D+01 -0.137668D+01  0.276765D+01  0.142734D+02 -0.538797D+01
      3   0.306091D+01 -0.182108D+01  0.679184D+01 -0.534733D+01 -0.276538D+01
      4   0.290173D+01  0.148005D+00  0.150255D+02 -0.338978D+02  0.205602D+02
      5  -0.181172D+00  0.239623D+01 -0.683514D+01  0.203166D+02 -0.178144D+02
      6  -0.137820D+01  0.771641D+00  0.443788D+01 -0.180843D+02  0.151449D+02
               196           197           198           199           200 
      1   0.390059D+01  0.872436D+01 -0.504750D+01 -0.125679D+01  0.140292D+01
      2  -0.266845D+01 -0.562485D+01 -0.151159D+01 -0.424788D+00  0.817730D-01
      3  -0.123214D+01 -0.309951D+01  0.655908D+01  0.168158D+01 -0.148470D+01
      4  -0.610440D+01  0.211332D+02 -0.173149D+02  0.309139D+01  0.511568D+01
      5   0.121487D+02 -0.173772D+02  0.231482D+02 -0.147203D+01 -0.231397D+01
      6  -0.410739D+01  0.152115D+02 -0.152645D+02 -0.223488D+01 -0.112020D+01
               201           202           203           204           205 
      1  -0.118939D+01  0.184620D+01 -0.120004D+02  0.606055D+01 -0.569591D+00
      2   0.514916D+00 -0.140194D-01  0.107303D+02 -0.190051D+01  0.312854D+01
      3   0.674470D+00 -0.183219D+01  0.127001D+01 -0.416003D+01 -0.255895D+01
      4  -0.137232D+01  0.518039D+01  0.851381D+01 -0.352556D+01 -0.872666D+00
      5   0.185226D+01 -0.289322D+01 -0.512114D+01  0.332450D+01  0.201990D+01
      6   0.669717D+00 -0.137712D+01 -0.114020D+02  0.702140D+01  0.208667D+01
               206           207           208           209           210 
      1   0.525759D+01 -0.262545D+01 -0.625067D+00 -0.201204D+01  0.983140D+00
      2  -0.239951D+01  0.835790D+00  0.244986D+01  0.131325D+01 -0.502439D+00
      3  -0.285808D+01  0.178966D+01 -0.182479D+01  0.698782D+00 -0.480701D+00
      4  -0.184982D+01  0.108147D+01 -0.117192D+01  0.468442D+01 -0.114001D+01
      5   0.239778D+01 -0.102336D+01  0.119198D+01 -0.557161D+00  0.664017D+00
      6   0.550285D+01 -0.449814D+01 -0.893248D+00  0.845515D+00  0.465951D-01
               211           212           213           214           215 
      1  -0.500255D+01 -0.194786D+02  0.477492D+01  0.294285D+01  0.617667D+01
      2   0.296045D+01  0.245061D+02 -0.423096D+01 -0.354008D+00 -0.616882D+01
      3   0.204211D+01 -0.502749D+01 -0.543960D+00 -0.258884D+01 -0.784952D-02
      4   0.253057D+01 -0.169422D+02  0.394675D+01 -0.193222D+01  0.600609D+01
      5  -0.770963D+00  0.324817D+01 -0.235210D+01 -0.691829D+00 -0.256528D+01
      6   0.856050D+00 -0.349032D+01  0.494604D+01  0.162153D+01  0.434182D+01
               216           217           218           219           220 
      1  -0.493195D+01  0.558171D+01  0.587159D+01 -0.632201D+01  0.410544D+01
      2   0.358214D+01 -0.429862D+01 -0.453121D+01  0.213973D+01 -0.230370D+01
      3   0.134981D+01 -0.128309D+01 -0.134038D+01  0.418228D+01 -0.180174D+01
      4  -0.317922D+01  0.281201D+01 -0.269397D+01 -0.116328D+01  0.164402D+01
      5   0.214762D+01 -0.362820D+01  0.206601D+00  0.531105D+00  0.525551D-01
      6  -0.349363D+01 -0.221056D+01  0.965238D+00 -0.213034D+01 -0.827050D+00
               221           222           223           224           225 
      1  -0.739204D+01  0.398397D+01 -0.861502D+01  0.384913D+01 -0.171216D+02
      2   0.510950D+01 -0.315366D+01  0.512539D+01 -0.148117D+01 -0.785441D+01
      3   0.228254D+01 -0.830317D+00  0.348963D+01 -0.236796D+01  0.249760D+02
      4   0.573103D+01 -0.557530D+01 -0.890435D+01 -0.136309D+02  0.120370D+02
      5  -0.585847D+01  0.641957D+01  0.104037D+02  0.139124D+02 -0.483334D+02
      6  -0.420717D+01  0.855367D+01  0.337799D+01  0.117864D+02 -0.234607D+02
               226           227           228           229           230 
      1   0.888205D+02  0.206977D+02  0.569180D+01  0.953704D+01  0.853090D+01
      2  -0.401257D+02 -0.572565D+01 -0.228964D+01 -0.548522D+00 -0.394943D+00
      3  -0.486948D+02 -0.149721D+02 -0.340215D+01 -0.898852D+01 -0.813596D+01
      4   0.431367D+02  0.225423D+02  0.302482D+01  0.162470D+02  0.100956D+02
      5   0.118993D+01  0.581152D+00  0.121019D+02  0.914810D+00  0.233334D+01
      6   0.267266D+01  0.274583D+00  0.412628D+01 -0.749216D-01  0.123202D+01
               231           232           233           234           235 
      1   0.468697D+00  0.129397D+02  0.287456D+01  0.763996D+01 -0.673568D+01
      2   0.104043D+01 -0.595652D+01  0.545137D+00 -0.479771D+01  0.718358D+01
      3  -0.150912D+01 -0.698320D+01 -0.341970D+01 -0.284225D+01 -0.447898D+00
      4   0.290720D+01  0.752804D+01  0.605923D+01  0.628021D+01 -0.243607D+00
      5   0.232616D+01  0.120394D+02  0.476781D+01  0.179185D+01  0.494025D+01
      6   0.211002D+01  0.410246D+01  0.298089D+01  0.553540D+00  0.354556D+01
               236           237           238           239           240 
      1   0.161244D+02  0.835438D+01  0.158645D+02 -0.240223D+02 -0.787886D+01
      2  -0.165734D+02 -0.609539D+01 -0.110818D+02  0.310081D+02  0.941742D+01
      3   0.449026D+00 -0.225900D+01 -0.478267D+01 -0.698578D+01 -0.153856D+01
      4  -0.907874D+01  0.401107D+00  0.163749D+01  0.226708D+02  0.624660D+01
      5  -0.175961D+01 -0.524203D+01 -0.287637D+01  0.794388D+01  0.893660D+01
      6  -0.333388D+01 -0.473672D+01 -0.189894D+01  0.757206D+01  0.748091D+01
               241           242           243 
      1   0.960219D+01 -0.911163D+01 -0.118237D+02
      2  -0.516366D+01  0.122479D+02  0.771738D+01
      3  -0.443853D+01 -0.313627D+01  0.410630D+01
      4   0.326824D+01  0.118251D+02  0.741439D+01
      5  -0.128629D+01  0.952860D+01  0.485705D+01
      6  -0.213247D+01  0.993251D+01  0.602197D+01
 Leave Link  716 at Thu Aug 12 23:30:43 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.166027D+03 -0.598266D+01  0.714589D+01
      2  -0.598266D+01  0.120726D+03 -0.414087D+01
      3   0.714589D+01 -0.414087D+01  0.104904D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.406920D+01 -0.395848D+01 -0.902731D+01
      2   0.443712D+02 -0.166334D+02 -0.316558D+02
      3  -0.312890D+00  0.226174D+02  0.136007D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.414333D+02 -0.174590D+02  0.421428D+02
      2  -0.783164D+01  0.199006D+02 -0.143857D+02
      3  -0.336017D+02 -0.244162D+01 -0.277571D+02
      4   0.686493D+01 -0.402532D+02 -0.388366D+02
      5   0.338106D+02 -0.387414D+02 -0.814934D+02
      6  -0.162552D+02  0.867507D+00  0.238025D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.149056D+01 -0.461124D+00 -0.486983D+01  0.777298D+00  0.639110D+00
      2  -0.461124D+00  0.571041D+00  0.267022D+01  0.639110D+00 -0.327781D+01
      3  -0.486983D+01  0.267022D+01  0.176420D+01  0.257675D+01  0.330613D+01
                 6             7             8             9            10 
      1   0.257675D+01 -0.578977D+01  0.283320D+01  0.186982D+01 -0.151789D+02
      2   0.330613D+01  0.283320D+01  0.364794D+01 -0.193460D+01  0.262161D+01
      3  -0.873662D+00  0.186982D+01 -0.193460D+01 -0.234362D+01  0.542019D+01
                11            12            13            14            15 
      1   0.262161D+01  0.542019D+01  0.888000D+01 -0.301486D+01 -0.280518D+01
      2  -0.216815D+01 -0.245546D+01 -0.301486D+01  0.441460D+01 -0.364382D+01
      3  -0.245546D+01 -0.122830D+01 -0.280518D+01 -0.364382D+01  0.198315D+01
                16            17            18            19            20 
      1   0.185303D+02 -0.401584D+01 -0.338092D+01  0.328846D+02 -0.466281D+01
      2  -0.401584D+01 -0.294139D+01  0.198781D+01 -0.466281D+01  0.297426D+01
      3  -0.338092D+01  0.198781D+01  0.712955D+00 -0.851386D+00  0.862303D+00
                21            22            23            24            25 
      1  -0.851386D+00 -0.113510D+02  0.391744D+01  0.159513D+01 -0.630332D+01
      2   0.862303D+00  0.391744D+01  0.171502D+01 -0.189834D+01  0.213907D+01
      3   0.244305D+01  0.159513D+01 -0.189834D+01 -0.263273D+01  0.583275D+01
                26            27            28            29            30 
      1   0.213907D+01  0.583275D+01 -0.487375D+02  0.597386D+01 -0.462585D+01
      2  -0.263089D+01 -0.270081D+01  0.597386D+01 -0.241340D+01 -0.104346D-01
      3  -0.270081D+01  0.531068D+01 -0.462585D+01 -0.104346D-01 -0.263156D+01
                31            32            33            34            35 
      1   0.146100D+02 -0.547335D+01  0.129863D+01 -0.149946D+02  0.363216D+00
      2  -0.547335D+01 -0.171796D+01  0.140016D+01  0.363216D+00  0.142384D+01
      3   0.129863D+01  0.140016D+01  0.134482D+01 -0.664265D+01  0.612760D+00
                36            37            38            39            40 
      1  -0.664265D+01  0.485274D+02 -0.757012D+01  0.759415D+01 -0.104190D+02
      2   0.612760D+00 -0.757012D+01  0.126792D+01 -0.407411D+00  0.417865D+01
      3  -0.525702D+01  0.759415D+01 -0.407411D+00  0.306702D+01 -0.416692D+00
                41            42            43            44            45 
      1   0.417865D+01 -0.416692D+00  0.158274D+02 -0.141092D+01  0.597679D+01
      2   0.201100D+01 -0.212433D+01 -0.141092D+01 -0.210197D+01 -0.832485D+00
      3  -0.212433D+01 -0.163548D+01  0.597679D+01 -0.832485D+00  0.305395D+01
                46            47            48            49            50 
      1  -0.341860D+02  0.719118D+01 -0.809989D+01  0.530300D+01 -0.375550D+01
      2   0.719118D+01 -0.105055D+01  0.219422D+01 -0.375550D+01 -0.217577D+01
      3  -0.809989D+01  0.219422D+01 -0.126444D+01  0.290071D+01  0.241084D+00
                51            52            53            54            55 
      1   0.290071D+01 -0.108154D+02  0.348727D+01 -0.295492D+01  0.275658D+02
      2   0.241084D+00  0.348727D+01  0.763246D+00  0.852579D+00 -0.647254D+01
      3   0.865777D+00 -0.295492D+01  0.852579D+00 -0.114639D+01  0.600059D+01
                56            57            58            59            60 
      1  -0.647254D+01  0.600059D+01 -0.180827D+02  0.679499D+01 -0.412098D+01
      2   0.246933D+01 -0.146908D+01  0.679499D+01 -0.496639D+01  0.214823D+01
      3  -0.146908D+01  0.214585D+01 -0.412098D+01  0.214823D+01 -0.185405D+01
                61            62            63            64            65 
      1   0.121769D+02 -0.234719D+01  0.653472D+01  0.247197D+01 -0.325492D+00
      2  -0.234719D+01  0.978022D+00 -0.270299D+01 -0.325492D+00  0.128533D+01
      3   0.653472D+01 -0.270299D+01  0.446353D+01 -0.454132D+01  0.272039D+01
                66            67            68            69            70 
      1  -0.454132D+01  0.146837D+00  0.242627D+01  0.260693D+01 -0.753945D+01
      2   0.272039D+01  0.242627D+01 -0.128579D+01  0.475363D+01  0.265745D+01
      3   0.857368D+00  0.260693D+01  0.475363D+01 -0.103966D+01  0.289335D+01
                71            72            73            74            75 
      1   0.265745D+01  0.289335D+01  0.599595D+01  0.232070D+01 -0.366698D+01
      2   0.434916D+01 -0.158093D+01  0.232070D+01  0.566533D+00 -0.174058D+01
      3  -0.158093D+01  0.112789D+01 -0.366698D+01 -0.174058D+01 -0.219761D+01
                76            77            78            79            80 
      1   0.333259D+01  0.966146D-01 -0.219311D+01 -0.407175D+01 -0.115330D+01
      2   0.966146D-01 -0.513288D+01  0.321167D+01 -0.115330D+01  0.298173D+01
      3  -0.219311D+01  0.321167D+01  0.912605D+00 -0.224074D+01  0.133642D+01
                81            82            83            84            85 
      1  -0.224074D+01  0.238239D+00  0.165751D+01  0.104826D+01  0.738475D+00
      2   0.133642D+01  0.165751D+01 -0.246938D+01  0.275833D+01 -0.263266D+01
      3  -0.151561D+01  0.104826D+01  0.275833D+01  0.281165D+01  0.230891D+01
                86            87            88            89            90 
      1  -0.263266D+01  0.230891D+01  0.247866D+00  0.378669D+01  0.280904D+01
      2   0.343062D+00  0.158943D+01  0.378669D+01  0.152215D+01 -0.721385D+00
      3   0.158943D+01 -0.631434D+00  0.280904D+01 -0.721385D+00 -0.139721D+01
                91            92            93            94            95 
      1  -0.827226D+01 -0.202899D+01 -0.223119D+01  0.602990D+00  0.392390D+01
      2  -0.202899D+01  0.333208D+01 -0.132893D+00  0.392390D+01  0.960044D+00
      3  -0.223119D+01 -0.132893D+00  0.157142D+01 -0.303318D+00 -0.176720D+01
                96            97            98            99           100 
      1  -0.303318D+00 -0.348883D+01 -0.527371D+00  0.523402D+00 -0.870900D+01
      2  -0.176720D+01 -0.527371D+00 -0.190471D+01 -0.203630D+01 -0.296041D+01
      3  -0.137653D+01  0.523402D+00 -0.203630D+01  0.458147D+01  0.361647D+01
               101           102           103           104           105 
      1  -0.296041D+01  0.361647D+01 -0.175358D+01 -0.200063D+01  0.104664D+01
      2  -0.246564D+01  0.135084D+01 -0.200063D+01 -0.150775D+01  0.818202D+00
      3   0.135084D+01 -0.224355D+01  0.104664D+01  0.818202D+00 -0.858475D+00
               106           107           108           109           110 
      1   0.156039D+01  0.995169D+00 -0.176076D+01  0.155408D+01 -0.427146D+00
      2   0.995169D+00  0.520775D+00 -0.108492D+01 -0.427146D+00  0.964335D+00
      3  -0.176076D+01 -0.108492D+01  0.208458D+01  0.168489D+01 -0.165837D+00
               111           112           113           114           115 
      1   0.168489D+01  0.218254D+00  0.230503D+00  0.112899D+00  0.963394D+00
      2  -0.165837D+00  0.230503D+00 -0.111934D-01  0.628262D+00 -0.698580D-01
      3   0.309143D+01  0.112899D+00  0.628262D+00 -0.305368D+00  0.144271D+01
               116           117           118           119           120 
      1  -0.698580D-01  0.144271D+01 -0.427923D+01  0.100119D+01 -0.177917D+01
      2   0.115481D+01 -0.101987D+01  0.100119D+01 -0.576542D+00  0.242037D+00
      3  -0.101987D+01  0.649804D+01 -0.177917D+01  0.242037D+00 -0.193950D+01
               121           122           123           124           125 
      1   0.472303D+01 -0.966609D+00  0.414171D+00 -0.284264D+01 -0.194792D-01
      2  -0.966609D+00  0.469010D+00 -0.122383D+01 -0.194792D-01 -0.939413D+00
      3   0.414171D+00 -0.122383D+01  0.154417D+01 -0.325471D+01  0.123411D+01
               126           127           128           129           130 
      1  -0.325471D+01  0.309505D+01 -0.189806D+01 -0.381128D+00 -0.122269D+01
      2   0.123411D+01 -0.189806D+01  0.352953D+01 -0.116872D+00  0.207330D+01
      3  -0.929555D+01 -0.381128D+00 -0.116872D+00  0.394329D+00 -0.157086D+00
               131           132           133           134           135 
      1   0.207330D+01 -0.157086D+00  0.445813D+00 -0.508317D+00  0.498696D-01
      2  -0.576669D+01 -0.219573D+00 -0.508317D+00  0.780528D+00 -0.873304D+00
      3  -0.219573D+00 -0.684344D+00  0.498696D-01 -0.873304D+00  0.278656D+00
               136           137           138           139           140 
      1  -0.383270D+01 -0.252956D+01 -0.179195D+01 -0.158829D+01 -0.184469D+01
      2  -0.252956D+01 -0.246961D+01 -0.167295D+01 -0.184469D+01 -0.357593D+01
      3  -0.179195D+01 -0.167295D+01 -0.220525D+01 -0.117053D+01 -0.199313D+01
               141           142           143           144           145 
      1  -0.117053D+01 -0.218564D+01 -0.186433D+01 -0.197427D+01  0.603435D+00
      2  -0.199313D+01 -0.186433D+01 -0.267499D+01 -0.215569D+01  0.111636D+01
      3  -0.148734D+01 -0.197427D+01 -0.215569D+01 -0.293430D+01  0.341236D-01
               146           147           148           149           150 
      1   0.111636D+01  0.341236D-01  0.850348D+00  0.300422D+00 -0.292548D+00
      2   0.660726D+00 -0.418420D+00  0.300422D+00  0.798618D+01 -0.165911D+01
      3  -0.418420D+00 -0.255702D-01 -0.292548D+00 -0.165911D+01  0.155565D+01
               151           152           153           154           155 
      1  -0.340908D+00 -0.321375D+00 -0.987277D-02  0.592984D+01 -0.272459D+00
      2  -0.321375D+00 -0.382547D+01  0.172429D+01 -0.272459D+00  0.142611D+01
      3  -0.987277D-02  0.172429D+01 -0.145122D+01  0.197931D+01  0.335404D+00
               156           157           158           159           160 
      1   0.197931D+01 -0.126646D+01  0.866648D+00 -0.155447D+00  0.161282D+01
      2   0.335404D+00  0.866648D+00 -0.149627D+00 -0.127861D+00  0.234900D+00
      3   0.191539D+01 -0.155447D+00 -0.127861D+00 -0.408835D+00  0.159137D+01
               161           162           163           164           165 
      1   0.234900D+00  0.159137D+01 -0.430527D+01  0.193854D+01  0.326619D+01
      2   0.150327D+00  0.431594D+00  0.193854D+01 -0.224882D+01 -0.186367D+01
      3   0.431594D+00  0.241514D+01  0.326619D+01 -0.186367D+01 -0.328025D+01
               166           167           168           169           170 
      1   0.621389D+00 -0.131301D+01 -0.977281D+00  0.290297D+01 -0.159460D+01
      2  -0.131301D+01  0.197128D+01  0.115543D+01 -0.159460D+01  0.170951D+01
      3  -0.977281D+00  0.115543D+01  0.114298D+01 -0.306395D+01  0.252066D+01
               171           172           173           174           175 
      1  -0.306395D+01 -0.766982D+01  0.199215D+01  0.248998D+01  0.187358D+01
      2   0.252066D+01  0.199215D+01 -0.134845D+01 -0.807860D+00 -0.195185D+01
      3   0.520779D+01  0.248998D+01 -0.807860D+00 -0.173619D+01 -0.731265D+00
               176           177           178           179           180 
      1  -0.195185D+01 -0.731265D+00  0.624463D+01 -0.168328D+01 -0.269094D+01
      2   0.132166D+01  0.214340D+00 -0.168328D+01  0.943091D+00  0.959807D+00
      3   0.214340D+00  0.644180D+00 -0.269094D+01  0.959807D+00  0.244684D+01
               181           182           183           184           185 
      1  -0.267389D+01 -0.141309D+01 -0.106913D+01 -0.310290D+01 -0.175957D+01
      2  -0.141309D+01 -0.115921D+01 -0.993757D+00 -0.175957D+01 -0.321257D+01
      3  -0.106913D+01 -0.993757D+00 -0.124625D+01 -0.178193D+01 -0.214184D+01
               186           187           188           189           190 
      1  -0.178193D+01 -0.149380D+01 -0.109860D+01 -0.210595D+01 -0.288020D+00
      2  -0.214184D+01 -0.109860D+01 -0.198858D+01 -0.132532D+01  0.751775D+00
      3  -0.202661D+01 -0.210595D+01 -0.132532D+01 -0.291856D+01 -0.219880D+00
               191           192           193           194           195 
      1   0.751775D+00 -0.219880D+00  0.178761D+01 -0.160056D+01  0.679023D+00
      2   0.306814D+00 -0.397481D+00 -0.160056D+01  0.539120D+01 -0.327117D+01
      3  -0.397481D+00  0.255622D+00  0.679023D+00 -0.327117D+01  0.275463D+01
               196           197           198           199           200 
      1  -0.723586D+00  0.624824D+00 -0.131778D+01 -0.466695D+00  0.133783D+01
      2   0.624824D+00 -0.328407D+01  0.279833D+01  0.133783D+01  0.871277D+00
      3  -0.131778D+01  0.279833D+01 -0.366532D+01 -0.736800D+00 -0.311867D+00
               201           202           203           204           205 
      1  -0.736800D+00  0.136532D+01  0.117245D+01 -0.204411D+00 -0.193450D+01
      2  -0.311867D+00  0.117245D+01  0.540899D+01 -0.185352D+01  0.140500D+00
      3  -0.660043D-01 -0.204411D+00 -0.185352D+01  0.139088D+01  0.748150D+00
               206           207           208           209           210 
      1   0.140500D+00  0.748150D+00  0.330685D+00 -0.111193D+01  0.508977D+00
      2  -0.166728D+01  0.108725D+01 -0.111193D+01 -0.201116D+00  0.212968D-01
      3   0.108725D+01 -0.719511D+00  0.508977D+00  0.212968D-01  0.126331D+00
               211           212           213           214           215 
      1  -0.194761D+01 -0.654426D+00 -0.530880D-01  0.804732D+00 -0.152261D+00
      2  -0.654426D+00 -0.610312D+01  0.151426D+01 -0.152261D+00  0.192118D+01
      3  -0.530880D-01  0.151426D+01 -0.121218D+01 -0.289535D+00 -0.100120D+01
               216           217           218           219           220 
      1  -0.289535D+00  0.130182D+01  0.323630D+00 -0.552866D+00  0.961243D+00
      2  -0.100120D+01  0.323630D+00 -0.827630D+00  0.133364D+00 -0.435774D-01
      3   0.685080D+00 -0.552866D+00  0.133364D+00 -0.499052D+00  0.338218D-01
               221           222           223           224           225 
      1  -0.435774D-01  0.338218D-01 -0.191512D+01 -0.882394D+00  0.769336D+00
      2   0.106176D+01 -0.954349D+00 -0.882394D+00 -0.203493D+01  0.204962D+01
      3  -0.954349D+00  0.104520D+01  0.769336D+00  0.204962D+01 -0.745169D+01
               226           227           228           229           230 
      1   0.103624D+02  0.293014D+01  0.675595D+00  0.152804D+01  0.119592D+01
      2   0.293014D+01  0.182881D+01  0.171589D+00  0.119592D+01  0.833476D+00
      3   0.675595D+00  0.171589D+00  0.117859D+01  0.190189D+00  0.399248D+00
               231           232           233           234           235 
      1   0.190189D+00  0.162693D+01  0.563466D+00  0.118047D+01 -0.771415D+00
      2   0.399248D+00  0.563466D+00  0.744949D+00  0.602395D+00  0.977260D+00
      3   0.296544D+00  0.118047D+01  0.602395D+00  0.109303D+00  0.109865D+01
               236           237           238           239           240 
      1   0.977260D+00  0.109865D+01  0.241423D+01 -0.804925D+00 -0.400942D+00
      2  -0.265559D+01 -0.495437D+00 -0.804925D+00  0.499617D+01  0.149798D+01
      3  -0.495437D+00 -0.105874D+01 -0.400942D+00  0.149798D+01  0.154613D+01
               241           242           243 
      1   0.149515D+01 -0.176628D+00 -0.534776D+00
      2  -0.176628D+00  0.240244D+01  0.177221D+01
      3  -0.534776D+00  0.177221D+01  0.112011D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.106619D+02 -0.534691D+01  0.310040D+00 -0.306497D+01 -0.131996D+02
      2   0.139156D+02 -0.278028D+01  0.567688D+01 -0.548924D+01 -0.508577D+01
      3  -0.640757D+01 -0.384536D+01 -0.600964D+01  0.449708D+01 -0.431396D+01
                 6             7             8             9            10 
      1   0.461897D+01 -0.780872D+00  0.126659D+02  0.315976D+01 -0.107296D+02
      2  -0.188039D+01  0.201257D+00 -0.980003D+00  0.200714D+01 -0.304796D+02
      3   0.106188D+02 -0.519270D+01  0.123853D+02 -0.331006D-01  0.422828D+01
                11            12            13            14            15 
      1   0.375631D+01  0.219572D+01  0.403948D+01  0.626120D+01 -0.871214D+01
      2   0.877581D+01  0.643197D+01  0.176336D+02  0.731852D+01 -0.518902D+01
      3  -0.804654D+01 -0.368089D+01  0.167058D+01  0.763425D+01 -0.126464D+02
                16            17            18            19            20 
      1   0.946243D+01 -0.610930D-01  0.802381D-01  0.117625D+02 -0.481425D+01
      2   0.146107D+02 -0.495852D+01 -0.442409D+01  0.342425D+02 -0.595588D+01
      3  -0.320761D+01 -0.138015D+02  0.304075D+01 -0.414510D+01 -0.123098D+01
                21            22            23            24            25 
      1  -0.240985D+01 -0.926330D+01 -0.584930D+01  0.290361D+00 -0.111482D+02
      2   0.810825D+00 -0.157473D+02  0.572878D+01  0.422704D+01 -0.190290D+02
      3   0.123075D+01  0.106514D+02 -0.344547D+00 -0.204122D+01 -0.969209D+00
                26            27            28            29            30 
      1   0.814320D+01  0.281356D+01 -0.125814D+02  0.151352D+01  0.397002D+00
      2   0.509628D+01  0.440928D+01 -0.344892D+02  0.248677D+01 -0.836160D+01
      3   0.533789D-01 -0.257053D+01  0.442208D+01  0.334208D+01  0.303503D+01
                31            32            33            34            35 
      1   0.365343D+01  0.376127D+01 -0.250396D+01  0.373136D+01  0.215027D+01
      2   0.789329D+01 -0.316251D+01  0.202262D+01 -0.435150D+02  0.335473D+01
      3   0.184619D+02 -0.173502D+01  0.124441D+01  0.909484D+01  0.691127D+00
                36            37            38            39            40 
      1  -0.826769D+00  0.105723D+02 -0.142696D+01 -0.183609D+01 -0.868993D+01
      2  -0.119239D+02  0.405097D+02 -0.437531D+01  0.142686D+02 -0.536552D+01
      3   0.131167D+01  0.340897D+01 -0.633911D+01 -0.189235D+01  0.727832D+01
                41            42            43            44            45 
      1   0.469914D-02 -0.237121D+01 -0.415200D+01  0.962857D+00 -0.408808D+00
      2  -0.115396D+01  0.122367D+01  0.153412D+02  0.392214D+00  0.830796D+01
      3  -0.106725D+02  0.572207D+01 -0.629472D+01  0.392218D+01 -0.143535D+01
                46            47            48            49            50 
      1  -0.988356D+01 -0.108412D+01  0.888558D+01 -0.901756D+00  0.879805D+01
      2  -0.229994D+02  0.439937D+01 -0.179381D+02  0.199313D+01 -0.137119D+01
      3  -0.101472D+02  0.671816D+01  0.360626D+01  0.201311D+02  0.768583D+01
                51            52            53            54            55 
      1   0.317510D+01  0.553814D+01  0.149595D+02 -0.445564D+01  0.487998D+01
      2   0.261470D+01 -0.282045D+02 -0.206031D+01 -0.902508D+01  0.180294D+02
      3   0.180059D+01  0.479161D+00  0.497989D+01 -0.139878D+01  0.564288D+01
                56            57            58            59            60 
      1   0.142722D+01 -0.216734D+01 -0.200322D+01 -0.306039D+01 -0.434178D+01
      2  -0.419992D+01  0.180125D+02 -0.114492D+02  0.676481D+01 -0.113607D+02
      3  -0.150614D+02  0.228607D-04 -0.837877D+01  0.153920D+02 -0.407234D+01
                61            62            63            64            65 
      1   0.132430D+01 -0.689774D+00  0.246334D+01  0.380879D+01 -0.360086D+01
      2   0.164830D+02 -0.520236D+01  0.163201D+02  0.173734D+02 -0.101866D+02
      3   0.255509D+00 -0.793713D+01  0.460580D+01  0.255334D+01  0.291538D+01
                66            67            68            69            70 
      1  -0.383417D+01 -0.535500D+01 -0.366588D+01 -0.457002D+01 -0.638482D+01
      2  -0.617476D+01 -0.956579D+01 -0.166071D+02  0.601987D+01 -0.200374D+02
      3   0.673134D+01  0.138345D+02 -0.323026D+01  0.217794D+02  0.614878D+01
                71            72            73            74            75 
      1   0.619247D+00 -0.540124D+00 -0.179400D+00 -0.344994D+01 -0.805802D+01
      2   0.864323D+01 -0.357412D+01  0.413245D+01 -0.187375D+01  0.141032D+02
      3   0.204797D+02 -0.346011D+01  0.366429D+00 -0.532923D+01  0.648779D-01
                76            77            78            79            80 
      1   0.817922D-01 -0.347597D+01  0.596932D+01 -0.602157D+01  0.112699D+02
      2   0.265225D+01 -0.748486D+01  0.111837D+01  0.374952D+01 -0.728454D+00
      3   0.254237D+00 -0.131507D+02  0.119201D+02 -0.219263D+00  0.113995D+02
                81            82            83            84            85 
      1   0.145188D+01  0.736875D+00  0.107606D+02  0.808786D+01  0.136464D+02
      2   0.797442D+01 -0.327472D+00 -0.195153D+01 -0.601632D+00 -0.290586D+01
      3   0.860362D+01  0.280931D+01 -0.140591D+02  0.211010D+01 -0.456670D+01
                86            87            88            89            90 
      1   0.474045D+01 -0.755015D+01  0.576744D+01 -0.169885D+01 -0.425078D+01
      2  -0.349841D+01  0.211200D+01 -0.720791D+01  0.284601D+01  0.260429D+01
      3   0.733202D+01 -0.392763D+01  0.355936D+01 -0.780618D+01 -0.100621D+02
                91            92            93            94            95 
      1   0.390471D+01 -0.320015D+01 -0.540041D+01  0.339340D+00  0.333401D+01
      2  -0.109287D+02 -0.849213D+00  0.796431D+01 -0.334115D+00 -0.460400D+01
      3  -0.122863D+01 -0.201259D+02 -0.352150D+01 -0.112353D+02  0.159669D+01
                96            97            98            99           100 
      1  -0.171255D+01  0.261104D+01  0.994185D+01 -0.844284D+01  0.125101D+01
      2  -0.297298D+01 -0.262298D+01 -0.805375D+01  0.167838D+02  0.197044D+01
      3   0.624660D+01 -0.177613D+01  0.875604D+01  0.100542D+02  0.442454D+01
               101           102           103           104           105 
      1  -0.264898D+01 -0.210098D+01 -0.485552D+00 -0.840192D+00 -0.188207D+01
      2  -0.362152D+00  0.392775D+01  0.115378D+01 -0.701789D-01  0.126118D+01
      3  -0.538687D+01 -0.102656D+01 -0.259261D+00 -0.180195D+01 -0.979837D-01
               106           107           108           109           110 
      1  -0.955884D+00  0.486173D+00  0.161003D+01  0.138058D+01  0.260764D+01
      2  -0.136395D+01  0.124811D+01 -0.386581D+01 -0.731562D+01  0.112191D+01
      3  -0.110080D+01  0.766239D+00 -0.516449D+00 -0.364963D+01  0.137712D+01
               111           112           113           114           115 
      1   0.409009D+01  0.929772D+00  0.147419D+01 -0.681548D+00  0.205600D+01
      2  -0.873572D+01  0.523952D+00 -0.209024D+01  0.289886D+00 -0.864520D+01
      3  -0.301880D+01  0.185716D+01 -0.157824D+00  0.998015D+00 -0.271662D+01
               116           117           118           119           120 
      1   0.258924D+01  0.689057D+01 -0.153157D+01  0.125069D+01 -0.532120D+00
      2   0.214358D+01 -0.165210D+02 -0.415412D+01  0.114065D+01  0.996818D+00
      3   0.169878D+01 -0.479838D+01  0.835201D+00 -0.184191D+01  0.719876D+00
               121           122           123           124           125 
      1   0.242851D+01 -0.750632D+00  0.936917D+00  0.191798D+01  0.485646D+01
      2   0.556128D+01 -0.257226D+00 -0.842393D+00 -0.350309D+01 -0.860430D+00
      3   0.108439D+01  0.313423D-01 -0.107879D+01  0.474160D+00 -0.102600D+01
               126           127           128           129           130 
      1  -0.297314D+01  0.812567D+00 -0.253836D+01  0.229893D+01 -0.113347D+01
      2   0.477418D+01  0.452696D+00  0.704786D-01  0.437845D+00  0.548554D+00
      3   0.135439D+01 -0.153903D+02  0.886582D+01  0.615909D+00  0.104734D+02
               131           132           133           134           135 
      1   0.228810D+01 -0.373343D+01  0.774390D+00 -0.989860D+00  0.144316D+01
      2   0.368068D+00 -0.517770D+00 -0.120565D+01  0.883031D+00 -0.467811D+00
      3  -0.134609D+02 -0.160904D+00 -0.222317D+01  0.272367D+01 -0.163564D+01
               136           137           138           139           140 
      1  -0.276972D+01 -0.209365D+01 -0.526182D+01 -0.168358D+01 -0.212475D+01
      2  -0.111747D+01  0.832631D+00  0.323326D+01  0.170228D+00  0.138179D+01
      3   0.523128D+01 -0.212367D+00  0.153576D+01  0.280440D+01 -0.292048D+01
               141           142           143           144           145 
      1  -0.334704D+01 -0.372910D+01 -0.131791D+01 -0.618686D+01  0.121894D+01
      2   0.201612D+01 -0.296092D+00  0.193368D+01  0.310424D+01 -0.886934D+00
      3  -0.247271D+00  0.282372D+01 -0.630777D+00  0.144207D+01  0.429542D+01
               146           147           148           149           150 
      1   0.183020D+01 -0.111185D+01  0.104192D+01  0.124367D+02 -0.812554D+01
      2  -0.589218D+00  0.589923D+00 -0.514332D+00  0.767014D+00 -0.122517D+01
      3   0.238943D+01 -0.934943D+00  0.537589D+01  0.139819D+02 -0.325664D+01
               151           152           153           154           155 
      1  -0.639618D+00 -0.626984D+01  0.635545D+01 -0.471511D+01  0.279163D+01
      2  -0.807233D+00 -0.144435D+01  0.167440D+01 -0.148464D+02  0.570333D+00
      3  -0.304091D+01 -0.752432D+01  0.309458D+01  0.133328D+02 -0.867656D+00
               156           157           158           159           160 
      1  -0.361136D+01  0.189968D+01 -0.753116D+00 -0.324175D+00 -0.334301D+01
      2  -0.384181D+01  0.289028D+01 -0.138858D+01  0.774592D+00 -0.694812D+01
      3   0.450547D+01  0.147865D-01  0.139152D+01 -0.590143D+00  0.390439D+01
               161           162           163           164           165 
      1   0.969897D+00 -0.358878D+01 -0.421199D+01 -0.995673D-01  0.491413D+01
      2  -0.712229D+00 -0.491669D+01 -0.138378D+00  0.168110D+01  0.354189D+01
      3  -0.785896D+00  0.397208D+01 -0.421211D+01 -0.272378D+01  0.213342D+01
               166           167           168           169           170 
      1   0.656340D+00  0.325128D+00 -0.254096D+01  0.412853D+01 -0.867071D+00
      2  -0.615437D+00 -0.494728D+00 -0.724744D+00 -0.169061D+01 -0.232548D+01
      3   0.986405D+00  0.148499D+01 -0.321487D+00  0.440171D+01  0.840950D+00
               171           172           173           174           175 
      1  -0.762139D+01 -0.359667D+01  0.923988D+00  0.273206D+01  0.159241D+01
      2  -0.624488D+01 -0.132689D+02  0.451324D+01  0.109070D+02  0.393668D+01
      3  -0.101365D+01 -0.154479D+00 -0.591891D+01 -0.109261D+01 -0.402499D+01
               176           177           178           179           180 
      1  -0.568542D+00 -0.160907D+01  0.322342D+01  0.225472D+00 -0.295036D+01
      2  -0.179760D+01 -0.364054D+01  0.113032D+02 -0.429631D+01 -0.121880D+02
      3   0.358149D+01 -0.202900D-01 -0.839466D+00  0.312338D+01  0.134108D+01
               181           182           183           184           185 
      1   0.195359D+01  0.212798D+01  0.119850D+01  0.217411D+01  0.553046D+01
      2   0.180196D+01  0.248616D+01  0.492680D+01  0.307626D+01  0.687029D+01
      3  -0.640115D+01 -0.644987D+01 -0.460177D+01 -0.613819D+01 -0.151446D+02
               186           187           188           189           190 
      1   0.160235D+01  0.212322D+01  0.436773D+01  0.226968D+01 -0.272448D+00
      2   0.714524D+01  0.440897D+01  0.431189D+01  0.935314D+01  0.127237D+01
      3  -0.926243D+01 -0.453498D+01 -0.940511D+01 -0.631511D+01  0.309815D+01
               191           192           193           194           195 
      1   0.671987D-01  0.821486D-02 -0.353577D-01 -0.178147D+01 -0.249594D+01
      2   0.176245D+01 -0.492931D-01  0.192644D-01  0.109664D+02 -0.100095D+02
      3   0.773874D+00 -0.148664D+01 -0.139455D+01  0.182051D+02 -0.113597D+02
               196           197           198           199           200 
      1   0.948131D+00  0.167114D+01  0.251967D+01 -0.362277D-01 -0.125315D+01
      2   0.210191D+01 -0.963335D+01  0.121427D+02 -0.278010D+00  0.134753D+01
      3   0.242326D+00 -0.121731D+02  0.914777D+01  0.339360D+00 -0.251373D+00
               201           202           203           204           205 
      1  -0.406019D+00 -0.256701D+01 -0.609227D+01 -0.142057D+01 -0.503901D+01
      2  -0.428430D+00  0.200656D+01  0.107723D+01  0.478079D+00 -0.350487D+01
      3   0.290964D+00  0.302429D+01 -0.236252D+01 -0.807604D-01 -0.133641D+01
               206           207           208           209           210 
      1   0.259804D+01 -0.122382D+01  0.104726D+01  0.716147D-01 -0.712916D-01
      2   0.207657D-01  0.360757D+00  0.255870D+01 -0.335238D+00  0.371517D+00
      3   0.513014D+00 -0.974310D+00  0.338466D+01  0.143226D+01 -0.478763D+00
               211           212           213           214           215 
      1  -0.677429D+00  0.652456D+00 -0.363655D+01 -0.176168D+01  0.147109D+00
      2  -0.285888D+00  0.353933D+01 -0.242546D+01 -0.413920D+01 -0.224857D+01
      3   0.699266D+01  0.130240D+02 -0.319706D+01 -0.115335D+01 -0.404764D+01
               216           217           218           219           220 
      1   0.771809D+00 -0.462221D-01 -0.377571D+00  0.135403D+01 -0.127323D+01
      2   0.858469D+00 -0.137018D+01  0.835344D+00 -0.173343D+01  0.170778D+01
      3   0.230617D+01 -0.788426D+00  0.256833D+01 -0.171227D+01  0.118453D+01
               221           222           223           224           225 
      1   0.761357D+00 -0.176253D+01 -0.166289D+01 -0.211823D+01  0.131522D+02
      2  -0.305749D+01  0.328214D+01  0.108048D+00  0.707608D+01 -0.258755D+02
      3  -0.408616D+01  0.318440D+01 -0.503933D+00  0.513108D+01 -0.701527D+01
               226           227           228           229           230 
      1  -0.245268D+01 -0.732029D+00 -0.221887D+01 -0.852182D+00 -0.840684D+00
      2   0.644132D+01  0.176406D+01  0.664151D+01  0.159871D+01  0.184149D+01
      3   0.447086D+01 -0.498303D+01  0.669191D+00  0.224600D+00 -0.113597D+01
               231           232           233           234           235 
      1  -0.141419D+01 -0.130210D+01 -0.690056D-01 -0.341729D+00 -0.984359D+00
      2   0.154410D+01  0.335993D+01  0.184850D+01  0.102044D+01  0.347225D+01
      3  -0.120799D+01  0.267233D+00 -0.238914D+01 -0.917395D+00 -0.732517D+01
               236           237           238           239           240 
      1   0.353794D+01  0.254805D+01  0.193044D+01 -0.529281D+01 -0.430432D+01
      2  -0.240121D+01 -0.253113D+01 -0.109299D+01  0.550021D+01  0.465905D+01
      3   0.119275D+02  0.427972D+01  0.819724D+01 -0.198175D+02 -0.637632D+01
               241           242           243 
      1   0.320592D+00 -0.417902D+01 -0.324230D+01
      2  -0.194813D+01  0.669986D+01  0.376261D+01
      3   0.345807D+01 -0.993751D+01 -0.812808D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.135963D+02 -0.141300D+01  0.736749D+01 -0.521044D+01  0.138942D+01
      2   0.631494D+01 -0.655546D+01 -0.206195D+01 -0.235701D+01 -0.185795D+02
      3  -0.199113D+02  0.796846D+01 -0.530553D+01  0.756745D+01  0.171900D+02
      4  -0.817523D+00 -0.287463D+01 -0.208366D+02 -0.296558D+01  0.121205D+02
      5   0.148973D+02 -0.120029D+02 -0.175101D+02 -0.106388D+02 -0.813653D+01
      6  -0.148904D+02  0.125364D+02  0.108439D+02  0.771942D+01  0.134412D+02
                 6             7             8             9            10 
      1  -0.171450D+02  0.645975D+01 -0.191292D+02 -0.120981D+01 -0.134590D+02
      2   0.227239D+02 -0.164970D+01  0.289159D+02  0.263512D+01  0.494254D+01
      3  -0.557889D+01 -0.481005D+01 -0.978664D+01 -0.142531D+01  0.851642D+01
      4  -0.287424D+01 -0.235086D+02 -0.667119D+00  0.132185D+02  0.243258D+01
      5   0.848934D+01 -0.191922D+02  0.134103D+02  0.133853D+02 -0.272909D+02
      6   0.441271D+00  0.121059D+02 -0.365933D+01 -0.776059D+01  0.842294D+01
                11            12            13            14            15 
      1   0.309399D+01 -0.201134D+02  0.736143D+01  0.103398D+02  0.144211D+02
      2  -0.448946D+00  0.579064D+01 -0.344240D+01  0.134033D+01 -0.761982D+01
      3  -0.264504D+01  0.143228D+02 -0.391903D+01 -0.116801D+02 -0.680133D+01
      4   0.724153D+01  0.132553D+02  0.868427D+01 -0.240456D+02  0.139306D+02
      5   0.104468D+02  0.438926D+01  0.114413D+02  0.190778D+02 -0.856602D+01
      6  -0.871186D+01 -0.303249D+01  0.458842D+00  0.282584D+00 -0.661210D+01
                16            17            18            19            20 
      1  -0.228637D+02  0.176243D+02 -0.950862D+00  0.253458D+02  0.394418D+01
      2   0.373239D+01 -0.158889D+02 -0.442629D+01 -0.801831D+01 -0.683293D+01
      3   0.191313D+02 -0.173540D+01  0.537715D+01 -0.173275D+02  0.288875D+01
      4   0.165848D+02  0.995104D+01 -0.825335D+01  0.113232D+00 -0.488195D+01
      5   0.136387D+02 -0.958394D+01 -0.678971D+00  0.238279D+01 -0.866680D+00
      6  -0.700072D+01 -0.996906D+00  0.181824D+01 -0.305846D+01  0.278813D+01
                21            22            23            24            25 
      1   0.605519D+01  0.595496D+01 -0.360229D+01 -0.771904D+01  0.229238D+02
      2   0.458785D+01 -0.614709D+01 -0.625772D+01 -0.352711D+00  0.614902D+01
      3  -0.106430D+02  0.192128D+00  0.986001D+01  0.807175D+01 -0.290729D+02
      4  -0.266602D+01 -0.844851D+01 -0.292136D+01  0.254392D+01 -0.100957D+02
      5  -0.477431D+01 -0.361457D+01  0.917826D-01  0.695973D+01 -0.137698D+02
      6   0.344093D+01 -0.490120D+00 -0.554200D+01  0.259858D+01  0.398292D+01
                26            27            28            29            30 
      1  -0.108700D+02  0.193081D+02 -0.100851D+03  0.100042D+02 -0.131948D+02
      2   0.572250D+01  0.102892D+02  0.399593D+02 -0.604305D+01  0.432993D+01
      3   0.514750D+01 -0.295973D+02  0.608921D+02 -0.396110D+01  0.886482D+01
      4   0.577058D+01  0.853011D+01  0.171065D+02 -0.110875D+02  0.904818D+00
      5   0.100331D+02 -0.173709D+02 -0.553653D+01 -0.109188D+01 -0.104470D+02
      6   0.382651D+00 -0.409871D+00  0.693323D+01  0.297538D+01  0.230920D+01
                31            32            33            34            35 
      1   0.388099D+02 -0.525546D+01  0.270768D+01 -0.417122D+02 -0.152020D+01
      2  -0.181798D+02  0.346715D+01  0.437512D+00  0.108023D+02  0.327160D+01
      3  -0.206301D+02  0.178832D+01 -0.314519D+01  0.309099D+02 -0.175140D+01
      4  -0.111934D+02 -0.165380D+01  0.164387D+01  0.893044D+01 -0.350685D+01
      5   0.753292D+01  0.343076D+01  0.139897D+01 -0.837220D+01 -0.183563D+01
      6   0.154274D+01  0.939518D+01 -0.137228D+01  0.737380D-01  0.367718D+01
                36            37            38            39            40 
      1  -0.292288D+02  0.147482D+03 -0.235058D+02  0.307155D+02 -0.162802D+02
      2  -0.562102D+00 -0.646713D+02  0.102300D+02 -0.109741D+02  0.323706D+01
      3   0.297909D+02 -0.828110D+02  0.132757D+02 -0.197415D+02  0.130431D+02
      4   0.245465D+01 -0.444345D+02  0.135109D+02 -0.556067D+01  0.157138D+02
      5  -0.150317D+02  0.253954D+02 -0.146114D+01  0.214612D+02  0.452495D+01
      6   0.555828D+01 -0.108407D+02 -0.132563D+01 -0.458016D+01 -0.195178D+01
                41            42            43            44            45 
      1   0.103992D+02 -0.921591D+01  0.392361D+02 -0.101987D+02  0.106529D+02
      2  -0.894297D+01  0.313565D+01 -0.174130D+02  0.830230D+01 -0.795148D+01
      3  -0.145620D+01  0.608026D+01 -0.218231D+02  0.189637D+01 -0.270143D+01
      4   0.911870D+01 -0.648979D+01 -0.680907D+01 -0.732250D+01 -0.418936D+01
      5  -0.867331D+01 -0.179945D+01  0.285754D+02 -0.469349D+01  0.778920D+01
      6   0.604728D+01  0.444167D+01 -0.934230D+01  0.537966D+01  0.126141D+00
                46            47            48            49            50 
      1  -0.128777D+03  0.364820D+02 -0.268730D+02  0.360861D+02 -0.223398D+02
      2   0.594701D+02 -0.178276D+02  0.153853D+02 -0.244056D+02  0.451374D+01
      3   0.693066D+02 -0.186544D+02  0.114877D+02 -0.116804D+02  0.178261D+02
      4   0.616734D+02 -0.287821D+02  0.169312D+02 -0.351185D+02 -0.140091D+02
      5  -0.448273D+02  0.131272D+02 -0.256946D+02  0.237856D+02  0.954471D-01
      6   0.175500D+02 -0.655902D+01  0.221781D+01  0.102925D+01  0.514337D+01
                51            52            53            54            55 
      1   0.142152D+02 -0.500337D+02  0.153342D+02 -0.181743D+02  0.142233D+03
      2  -0.120192D+02  0.245042D+02 -0.380264D+01  0.614433D+01 -0.700258D+02
      3  -0.219597D+01  0.255295D+02 -0.115315D+02  0.120300D+02 -0.722072D+02
      4   0.396317D+00  0.330095D+02 -0.110577D+01  0.733668D+01 -0.621807D+02
      5   0.214351D+01 -0.157374D+02  0.523254D+01 -0.143718D+02  0.396402D+02
      6  -0.595110D+01  0.133884D+01  0.108801D+01  0.558429D+01 -0.889480D+01
                56            57            58            59            60 
      1  -0.384529D+02  0.279894D+02 -0.765629D+02  0.281357D+02 -0.135598D+02
      2   0.149165D+02 -0.175057D+02  0.308751D+02 -0.260770D+01  0.811087D+01
      3   0.235364D+02 -0.104837D+02  0.456879D+02 -0.255280D+02  0.544896D+01
      4   0.370565D+02 -0.133052D+02  0.640455D+02 -0.444104D+02  0.167255D+02
      5  -0.114316D+02  0.302975D+02 -0.246527D+02  0.143714D+02 -0.155938D+02
      6   0.463797D+01 -0.557795D+01  0.100413D+02 -0.703698D+01  0.116980D+02
                61            62            63            64            65 
      1   0.488069D+02 -0.771079D+01  0.254492D+02 -0.118840D+02  0.175868D+01
      2  -0.289568D+02  0.527607D+01 -0.214335D+02  0.432224D+01  0.180658D+01
      3  -0.198501D+02  0.243472D+01 -0.401571D+01  0.756172D+01 -0.356527D+01
      4  -0.221907D+02  0.117792D+02 -0.210943D+02  0.125314D+01 -0.879944D+01
      5   0.502633D+02 -0.197536D+02  0.364113D+02  0.350011D+02 -0.207276D+02
      6  -0.971653D+01  0.108778D+02 -0.961789D+01 -0.108720D+02  0.283230D+01
                66            67            68            69            70 
      1   0.297084D+02 -0.340052D+01 -0.531273D+01 -0.289369D+02  0.420865D+02
      2  -0.118560D+02  0.607503D+01  0.507485D+01  0.196442D+02 -0.167805D+02
      3  -0.178524D+02 -0.267451D+01  0.237876D+00  0.929267D+01 -0.253060D+02
      4  -0.230868D+02 -0.161111D+02  0.672510D+01 -0.273367D+02 -0.247410D+02
      5  -0.780722D+01 -0.200980D+02 -0.299759D+02  0.429855D+01 -0.203594D+02
      6  -0.377534D+00 -0.138942D+01  0.106303D+02 -0.116702D+02  0.293887D+01
                71            72            73            74            75 
      1  -0.306784D+02 -0.111341D+02 -0.187743D+02 -0.138407D+02  0.223973D+02
      2   0.213699D+02  0.520105D+01  0.115778D+02  0.722308D+01  0.275739D+01
      3   0.930848D+01  0.593302D+01  0.719650D+01  0.661761D+01 -0.251547D+02
      4  -0.249473D+02  0.915935D+01 -0.238529D+02 -0.940360D+01  0.141081D+02
      5   0.792573D+01 -0.575919D+01  0.255795D+02  0.132737D+02 -0.304586D+01
      6  -0.129126D+02  0.307131D+01  0.117974D+02  0.987176D+01  0.318914D+01
                76            77            78            79            80 
      1  -0.130867D+02 -0.893726D+01  0.131489D+02  0.142866D+02  0.810822D+01
      2   0.998263D+01  0.218671D+01 -0.141863D+02  0.366766D+01 -0.717726D+01
      3   0.310407D+01  0.675054D+01  0.103744D+01 -0.179543D+02 -0.930954D+00
      4  -0.685067D+01  0.221144D+02 -0.902667D+01  0.966592D+01 -0.437785D+01
      5   0.161927D+02 -0.160073D+02 -0.623809D+01  0.111665D+01 -0.500058D+01
      6   0.178075D+01 -0.122218D+02  0.221688D+01  0.458299D+01 -0.124122D+01
                81            82            83            84            85 
      1   0.147349D+02  0.473156D+01 -0.123009D+02  0.416352D+01 -0.922447D+01
      2  -0.318451D+01 -0.793481D+01  0.187089D+02 -0.123159D+02  0.121579D+02
      3  -0.115504D+02  0.320325D+01 -0.640804D+01  0.815238D+01 -0.293338D+01
      4  -0.304658D+00 -0.530761D+01 -0.569567D+01 -0.121321D+02 -0.489708D+00
      5   0.565922D-01 -0.669914D+01 -0.128454D+02 -0.114113D+02 -0.124806D+02
      6   0.353268D+01 -0.606891D+01 -0.141383D+02 -0.137191D+02 -0.946184D+01
                86            87            88            89            90 
      1   0.477150D+01 -0.353206D+01  0.992509D+01 -0.473188D+01 -0.127304D+02
      2  -0.277865D+01 -0.307136D+00 -0.183475D+02 -0.203681D+01  0.919010D+01
      3  -0.199286D+01  0.383920D+01  0.842243D+01  0.676869D+01  0.354034D+01
      4   0.596506D+01 -0.103352D+02 -0.121182D+02 -0.161824D+02 -0.866067D+01
      5  -0.476407D+01  0.200827D+01 -0.141386D+02 -0.268707D+01  0.281336D+01
      6  -0.197004D+01 -0.187153D+01 -0.143623D+02 -0.131772D+01  0.783969D+00
                91            92            93            94            95 
      1  -0.571773D+02 -0.293023D+02 -0.144190D+02 -0.122957D+02  0.212554D+02
      2   0.233344D+02  0.239122D+02  0.113168D+02  0.145257D+02 -0.854283D+01
      3   0.338430D+02  0.539011D+01  0.310227D+01 -0.222999D+01 -0.127125D+02
      4  -0.252370D+02  0.149967D+02 -0.568015D+01  0.221895D+02  0.156137D+02
      5  -0.127732D+02 -0.243031D+01  0.121879D+02 -0.406337D+01 -0.123095D+02
      6  -0.616713D+01  0.109791D+01  0.649812D+01 -0.150002D+01 -0.105502D+02
                96            97            98            99           100 
      1   0.297814D+01 -0.227405D+02  0.298667D+00  0.194763D+02  0.491552D+02
      2  -0.797833D+01  0.118496D+02 -0.117018D+02 -0.402003D+01 -0.258051D+02
      3   0.500019D+01  0.108909D+02  0.114032D+02 -0.154563D+02 -0.233501D+02
      4  -0.100720D+02 -0.929590D+01 -0.103426D+02 -0.979825D+01  0.350306D+02
      5  -0.617883D+01  0.498877D+01 -0.118133D+02  0.300283D+02 -0.344095D+02
      6  -0.997043D+00  0.250479D+01 -0.734405D+01  0.141335D+02 -0.136749D+02
               101           102           103           104           105 
      1   0.117598D+02 -0.150184D+02  0.907335D+01  0.592985D+01 -0.265977D+01
      2  -0.267453D+01  0.102394D+02 -0.142593D+01  0.258687D+01  0.165341D+01
      3  -0.908525D+01  0.477904D+01 -0.764743D+01 -0.851672D+01  0.100636D+01
      4   0.223584D+02 -0.144260D+02  0.186718D+02  0.136648D+02 -0.780383D+01
      5  -0.123498D+02  0.211055D+02 -0.935708D+01 -0.760458D+01  0.656788D+01
      6  -0.938701D+01  0.860713D+01 -0.797097D+01 -0.527921D+01  0.612480D+01
               106           107           108           109           110 
      1  -0.102355D+02 -0.260145D+01  0.416662D+01 -0.528270D+01  0.537925D+01
      2   0.731451D+01  0.281309D+01 -0.680439D+01 -0.188423D+01 -0.353166D+01
      3   0.292096D+01 -0.211636D+00  0.263777D+01  0.716693D+01 -0.184759D+01
      4  -0.967403D+01 -0.590029D+01  0.940264D+01 -0.157723D+00 -0.107895D+01
      5   0.172946D+02  0.782051D+01 -0.145021D+02 -0.990768D+00 -0.133021D+01
      6   0.712291D+01  0.544138D+01 -0.775117D+01 -0.484386D+01  0.332001D+01
               111           112           113           114           115 
      1  -0.155333D+02  0.182225D+01 -0.469960D+01  0.842801D+00 -0.104687D+02
      2  -0.247465D+01 -0.154703D+01  0.944889D+00 -0.136054D+01  0.912565D+00
      3   0.180079D+02 -0.275216D+00  0.375471D+01  0.517742D+00  0.955612D+01
      4  -0.314453D+01  0.158380D+01 -0.144590D+01 -0.101085D+01 -0.279059D+01
      5  -0.225002D+01 -0.146051D+01  0.509099D+00  0.555760D+00  0.199626D+01
      6  -0.778438D+01  0.190779D+01 -0.201239D+01  0.718729D+01 -0.238048D+01
               116           117           118           119           120 
      1   0.463321D+01 -0.263517D+02 -0.912324D+00  0.318876D+00 -0.130838D+01
      2  -0.108861D+01 -0.927977D+01 -0.679522D+01  0.652095D+00 -0.514206D+01
      3  -0.354460D+01  0.356315D+02  0.770754D+01 -0.970972D+00  0.645044D+01
      4  -0.347570D+01  0.125330D+01 -0.768778D+00  0.406058D+01 -0.845160D+00
      5   0.323001D+01 -0.143662D+02  0.809021D+01 -0.210863D+01  0.132755D+02
      6   0.765639D+01 -0.162230D+02 -0.750684D+00  0.913066D+00 -0.175004D-01
               121           122           123           124           125 
      1   0.504751D+01 -0.528754D+01  0.381180D+01 -0.686948D+01  0.174797D+01
      2  -0.158207D+01  0.137755D+00  0.331742D+01 -0.690194D+01  0.357437D+01
      3  -0.346544D+01  0.514979D+01 -0.712922D+01  0.137714D+02 -0.532234D+01
      4   0.269605D+01 -0.117663D+01  0.336506D+01  0.569604D+00  0.273413D+01
      5  -0.261139D+01  0.407025D+01 -0.346927D+01  0.168296D+02 -0.361901D+01
      6   0.165429D+01 -0.135756D+01  0.751303D+01  0.541577D+00  0.572450D+01
               126           127           128           129           130 
      1  -0.278906D+02 -0.857368D+01  0.168278D+02  0.263330D+00  0.100529D+02
      2  -0.217994D+02  0.122005D+02 -0.238205D+02  0.903721D+00 -0.141531D+02
      3   0.496900D+02 -0.362684D+01  0.699262D+01 -0.116705D+01  0.410020D+01
      4  -0.228440D+01 -0.683640D+01  0.423120D+01  0.177663D+01  0.620930D+01
      5   0.257209D+02 -0.442712D+00  0.154551D+01  0.148337D+01  0.189265D+01
      6  -0.611494D+00  0.205699D+00  0.615413D+00 -0.250043D+01  0.460261D+00
               131           132           133           134           135 
      1  -0.257796D+02 -0.300023D+00 -0.244823D+01  0.397607D+01 -0.362432D+01
      2   0.388305D+02  0.379902D+00  0.335587D+01 -0.521336D+01  0.345369D+01
      3  -0.130509D+02 -0.798792D-01 -0.907637D+00  0.123728D+01  0.170631D+00
      4  -0.470427D+00  0.955939D+00  0.227400D+00  0.604742D+00  0.672827D+00
      5   0.712296D-01  0.508781D+00  0.280039D+01  0.132663D+01 -0.696228D+00
      6   0.602935D+00  0.603543D+01 -0.909806D+00  0.673052D+01 -0.172984D+01
               136           137           138           139           140 
      1   0.890238D+01  0.973069D+00  0.178068D+01  0.152972D+01 -0.697228D+01
      2   0.208290D+01  0.678154D+01  0.228943D+01  0.471586D+01  0.163719D+02
      3  -0.109853D+02 -0.775461D+01 -0.407011D+01 -0.624558D+01 -0.939966D+01
      4   0.221301D+02  0.203666D+02  0.121331D+02  0.156450D+02  0.197988D+02
      5   0.134097D+02  0.997629D+01  0.129444D+02  0.703063D+01  0.991747D+01
      6   0.106495D+02  0.107880D+02  0.115304D+02  0.793270D+01  0.138948D+02
               141           142           143           144           145 
      1  -0.361946D+01  0.409367D+00 -0.538234D+01 -0.358474D+01 -0.350545D+01
      2   0.713776D+01  0.265695D+01  0.873666D+01  0.166794D+01  0.480572D+01
      3  -0.351829D+01 -0.306632D+01 -0.335432D+01  0.191680D+01 -0.130027D+01
      4   0.109963D+02  0.129621D+02  0.146320D+02  0.138923D+02 -0.141061D+01
      5   0.738271D+01  0.124349D+02  0.108540D+02  0.147921D+02  0.956480D-01
      6   0.108334D+02  0.113855D+02  0.149136D+02  0.168252D+02 -0.535092D-01
               146           147           148           149           150 
      1  -0.583732D+01  0.813878D+00 -0.373483D+01 -0.247316D+02  0.413870D+01
      2   0.708521D+01 -0.146657D+01  0.347553D+01  0.483616D+02 -0.117476D+02
      3  -0.124789D+01  0.652694D+00  0.259303D+00 -0.236301D+02  0.760891D+01
      4   0.569771D+01  0.356087D+00  0.665850D+01 -0.194423D+02  0.330992D+01
      5   0.182430D+01  0.233147D+01  0.151498D+01  0.548830D+01 -0.475097D+01
      6  -0.105674D+01  0.128280D+00 -0.107043D+01 -0.162661D+01  0.802594D+01
               151           152           153           154           155 
      1   0.218160D+01  0.112081D+02 -0.438517D+01 -0.989378D+01 -0.496766D+01
      2  -0.139665D+01 -0.216806D+02  0.795911D+01 -0.249620D+01  0.603660D+01
      3  -0.784952D+00  0.104725D+02 -0.357394D+01  0.123900D+02 -0.106894D+01
      4  -0.192595D+01  0.952751D+01 -0.509234D+01  0.140510D+02 -0.680503D+00
      5   0.209342D+01 -0.572412D+01  0.357738D+01  0.657543D+01  0.461931D+00
      6  -0.496591D+00  0.757181D+01 -0.714803D+01  0.515004D+01  0.394700D+01
               156           157           158           159           160 
      1  -0.108791D+02  0.482370D+00 -0.222251D+01  0.312715D+01 -0.879077D+01
      2  -0.715926D+00  0.233836D+01  0.230784D+01 -0.678503D+00 -0.937971D+00
      3   0.115950D+02 -0.282073D+01 -0.853256D-01 -0.244865D+01  0.972874D+01
      4   0.631991D+01 -0.664167D+00  0.180632D+01  0.515206D+00  0.754581D+01
      5   0.377209D+01  0.153018D+00  0.209327D+01  0.709317D+00  0.533821D+01
      6   0.588848D+01  0.225467D+01 -0.155547D+01  0.142871D+01  0.365267D+01
               161           162           163           164           165 
      1   0.319745D+00 -0.101496D+02  0.110960D+02  0.143512D+00 -0.258137D+01
      2  -0.100486D+01 -0.277643D+01 -0.109620D+02 -0.138819D+01  0.801031D+01
      3   0.685117D+00  0.129260D+02 -0.134029D+00  0.124467D+01 -0.542894D+01
      4   0.613651D+00  0.295897D+01 -0.186169D+02  0.153139D+02  0.152585D+02
      5  -0.145999D+01  0.162214D+00 -0.240433D+02  0.119259D+02  0.229411D+02
      6   0.396693D+01  0.663595D+01  0.129139D+02 -0.114689D+02 -0.138251D+02
               166           167           168           169           170 
      1   0.890360D+00 -0.314598D+01 -0.220266D+01 -0.364203D+01 -0.352396D+01
      2  -0.199298D+01  0.580176D+01  0.958436D+00  0.847658D+01 -0.722256D+00
      3   0.110262D+01 -0.265577D+01  0.124422D+01 -0.483455D+01  0.424622D+01
      4   0.995602D+01 -0.109976D+02 -0.808304D+01  0.151799D+02 -0.115053D+02
      5   0.558799D+01 -0.761917D+01 -0.646287D+01  0.221840D+02 -0.132538D+02
      6  -0.761764D+01  0.820256D+01  0.101954D+02 -0.129980D+02  0.146558D+02
               171           172           173           174           175 
      1  -0.660328D+01  0.687123D+02 -0.139507D+02 -0.204479D+02 -0.127984D+02
      2  -0.100203D+02 -0.323415D+02  0.388574D+01  0.892022D+01  0.262721D+01
      3   0.166236D+02 -0.363708D+02  0.100650D+02  0.115277D+02  0.101712D+02
      4  -0.160058D+02 -0.233967D+02  0.149832D+02  0.856686D+01  0.188312D+02
      5  -0.285226D+02 -0.210356D+02  0.655023D+01  0.166096D+02  0.580951D+01
      6   0.217400D+02  0.478848D+01 -0.149906D+01 -0.328739D+01 -0.177550D+01
               176           177           178           179           180 
      1   0.975632D+01  0.589832D+01 -0.423751D+02  0.106787D+02  0.166114D+02
      2  -0.221146D+01 -0.185966D+01  0.202322D+02 -0.382368D+01 -0.954953D+01
      3  -0.754486D+01 -0.403866D+01  0.221429D+02 -0.685502D+01 -0.706182D+01
      4  -0.119064D+02 -0.351180D+01  0.167713D+02 -0.971985D+01 -0.859203D+01
      5  -0.250999D+01 -0.494099D+01  0.243608D+02 -0.763493D+01 -0.212587D+02
      6   0.811766D+00  0.429419D+01 -0.510262D+01  0.456953D+01  0.493139D+01
               181           182           183           184           185 
      1   0.221358D+02  0.104373D+02  0.792605D+01  0.226807D+02  0.911390D+01
      2  -0.137135D+02 -0.724395D+01 -0.717256D+01 -0.145342D+02 -0.626936D+01
      3  -0.842228D+01 -0.319339D+01 -0.753497D+00 -0.814649D+01 -0.284454D+01
      4   0.101997D+02  0.107221D+02  0.803344D+01  0.147184D+02  0.233982D+02
      5   0.113061D+02  0.939770D+01  0.127419D+02  0.159191D+02  0.155212D+02
      6   0.310454D+01  0.157018D+01  0.130136D+01  0.247575D+01  0.493911D+01
               186           187           188           189           190 
      1   0.107988D+02  0.108994D+02  0.740767D+01  0.959256D+01  0.128379D+01
      2  -0.106952D+02 -0.101450D+02 -0.819971D+01 -0.126402D+02  0.168938D+00
      3  -0.103680D+00 -0.754425D+00  0.792034D+00  0.304767D+01 -0.145273D+01
      4   0.147475D+02  0.872053D+01  0.138977D+02  0.907684D+01 -0.458014D+01
      5   0.161371D+02  0.190475D+02  0.105798D+02  0.223798D+02  0.599469D+00
      6   0.508680D+01  0.114718D+01  0.580644D+01  0.251152D+01 -0.227988D+01
               191           192           193           194           195 
      1  -0.761305D+01  0.319776D+01 -0.955949D+01 -0.892612D+01  0.815335D+01
      2   0.455214D+01 -0.137668D+01  0.276765D+01  0.142734D+02 -0.538797D+01
      3   0.306091D+01 -0.182108D+01  0.679184D+01 -0.534733D+01 -0.276538D+01
      4   0.290173D+01  0.148005D+00  0.150255D+02 -0.338978D+02  0.205602D+02
      5  -0.181172D+00  0.239623D+01 -0.683514D+01  0.203166D+02 -0.178144D+02
      6  -0.137820D+01  0.771641D+00  0.443788D+01 -0.180843D+02  0.151449D+02
               196           197           198           199           200 
      1   0.390059D+01  0.872436D+01 -0.504750D+01 -0.125679D+01  0.140292D+01
      2  -0.266845D+01 -0.562485D+01 -0.151159D+01 -0.424788D+00  0.817730D-01
      3  -0.123214D+01 -0.309951D+01  0.655908D+01  0.168158D+01 -0.148470D+01
      4  -0.610440D+01  0.211332D+02 -0.173149D+02  0.309139D+01  0.511568D+01
      5   0.121487D+02 -0.173772D+02  0.231482D+02 -0.147203D+01 -0.231397D+01
      6  -0.410739D+01  0.152115D+02 -0.152645D+02 -0.223488D+01 -0.112020D+01
               201           202           203           204           205 
      1  -0.118939D+01  0.184620D+01 -0.120004D+02  0.606055D+01 -0.569591D+00
      2   0.514916D+00 -0.140194D-01  0.107303D+02 -0.190051D+01  0.312854D+01
      3   0.674470D+00 -0.183219D+01  0.127001D+01 -0.416003D+01 -0.255895D+01
      4  -0.137232D+01  0.518039D+01  0.851381D+01 -0.352556D+01 -0.872666D+00
      5   0.185226D+01 -0.289322D+01 -0.512114D+01  0.332450D+01  0.201990D+01
      6   0.669717D+00 -0.137712D+01 -0.114020D+02  0.702140D+01  0.208667D+01
               206           207           208           209           210 
      1   0.525759D+01 -0.262545D+01 -0.625067D+00 -0.201204D+01  0.983140D+00
      2  -0.239951D+01  0.835790D+00  0.244986D+01  0.131325D+01 -0.502439D+00
      3  -0.285808D+01  0.178966D+01 -0.182479D+01  0.698782D+00 -0.480701D+00
      4  -0.184982D+01  0.108147D+01 -0.117192D+01  0.468442D+01 -0.114001D+01
      5   0.239778D+01 -0.102336D+01  0.119198D+01 -0.557161D+00  0.664017D+00
      6   0.550285D+01 -0.449814D+01 -0.893248D+00  0.845515D+00  0.465951D-01
               211           212           213           214           215 
      1  -0.500255D+01 -0.194786D+02  0.477492D+01  0.294285D+01  0.617667D+01
      2   0.296045D+01  0.245061D+02 -0.423096D+01 -0.354008D+00 -0.616882D+01
      3   0.204211D+01 -0.502749D+01 -0.543960D+00 -0.258884D+01 -0.784952D-02
      4   0.253057D+01 -0.169422D+02  0.394675D+01 -0.193222D+01  0.600609D+01
      5  -0.770963D+00  0.324817D+01 -0.235210D+01 -0.691829D+00 -0.256528D+01
      6   0.856050D+00 -0.349032D+01  0.494604D+01  0.162153D+01  0.434182D+01
               216           217           218           219           220 
      1  -0.493195D+01  0.558171D+01  0.587159D+01 -0.632201D+01  0.410544D+01
      2   0.358214D+01 -0.429862D+01 -0.453121D+01  0.213973D+01 -0.230370D+01
      3   0.134981D+01 -0.128309D+01 -0.134038D+01  0.418228D+01 -0.180174D+01
      4  -0.317922D+01  0.281201D+01 -0.269397D+01 -0.116328D+01  0.164402D+01
      5   0.214762D+01 -0.362820D+01  0.206601D+00  0.531105D+00  0.525551D-01
      6  -0.349363D+01 -0.221056D+01  0.965238D+00 -0.213034D+01 -0.827050D+00
               221           222           223           224           225 
      1  -0.739204D+01  0.398397D+01 -0.861502D+01  0.384913D+01 -0.171216D+02
      2   0.510950D+01 -0.315366D+01  0.512539D+01 -0.148117D+01 -0.785441D+01
      3   0.228254D+01 -0.830317D+00  0.348963D+01 -0.236796D+01  0.249760D+02
      4   0.573103D+01 -0.557530D+01 -0.890435D+01 -0.136309D+02  0.120370D+02
      5  -0.585847D+01  0.641957D+01  0.104037D+02  0.139124D+02 -0.483334D+02
      6  -0.420717D+01  0.855367D+01  0.337799D+01  0.117864D+02 -0.234607D+02
               226           227           228           229           230 
      1   0.888205D+02  0.206977D+02  0.569180D+01  0.953704D+01  0.853090D+01
      2  -0.401257D+02 -0.572565D+01 -0.228964D+01 -0.548522D+00 -0.394943D+00
      3  -0.486948D+02 -0.149721D+02 -0.340215D+01 -0.898852D+01 -0.813596D+01
      4   0.431367D+02  0.225423D+02  0.302482D+01  0.162470D+02  0.100956D+02
      5   0.118993D+01  0.581152D+00  0.121019D+02  0.914810D+00  0.233334D+01
      6   0.267266D+01  0.274583D+00  0.412628D+01 -0.749216D-01  0.123202D+01
               231           232           233           234           235 
      1   0.468697D+00  0.129397D+02  0.287456D+01  0.763996D+01 -0.673568D+01
      2   0.104043D+01 -0.595652D+01  0.545137D+00 -0.479771D+01  0.718358D+01
      3  -0.150912D+01 -0.698320D+01 -0.341970D+01 -0.284225D+01 -0.447898D+00
      4   0.290720D+01  0.752804D+01  0.605923D+01  0.628021D+01 -0.243607D+00
      5   0.232616D+01  0.120394D+02  0.476781D+01  0.179185D+01  0.494025D+01
      6   0.211002D+01  0.410246D+01  0.298089D+01  0.553540D+00  0.354556D+01
               236           237           238           239           240 
      1   0.161244D+02  0.835438D+01  0.158645D+02 -0.240223D+02 -0.787886D+01
      2  -0.165734D+02 -0.609539D+01 -0.110818D+02  0.310081D+02  0.941742D+01
      3   0.449026D+00 -0.225900D+01 -0.478267D+01 -0.698578D+01 -0.153856D+01
      4  -0.907874D+01  0.401107D+00  0.163749D+01  0.226708D+02  0.624660D+01
      5  -0.175961D+01 -0.524203D+01 -0.287637D+01  0.794388D+01  0.893660D+01
      6  -0.333388D+01 -0.473672D+01 -0.189894D+01  0.757206D+01  0.748091D+01
               241           242           243 
      1   0.960219D+01 -0.911163D+01 -0.118237D+02
      2  -0.516366D+01  0.122479D+02  0.771738D+01
      3  -0.443853D+01 -0.313627D+01  0.410630D+01
      4   0.326824D+01  0.118251D+02  0.741439D+01
      5  -0.128629D+01  0.952860D+01  0.485705D+01
      6  -0.213247D+01  0.993251D+01  0.602197D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.163722D+01      0.416139D+01      0.138809D+02
   x         -0.135546D+01     -0.344525D+01     -0.114921D+02
   y          0.754877D+00      0.191871D+01      0.640011D+01
   z         -0.522841D+00     -0.132893D+01     -0.443283D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.122679D+03      0.181792D+02      0.202271D+02
   aniso      0.542071D+02      0.803267D+01      0.893755D+01
   xx         0.156097D+03      0.231311D+02      0.257369D+02
   yx        -0.454232D+01     -0.673103D+00     -0.748928D+00
   yy         0.113939D+03      0.168841D+02      0.187861D+02
   zx         0.647779D+01      0.959910D+00      0.106804D+01
   zy        -0.398160D+01     -0.590013D+00     -0.656478D+00
   zz         0.980025D+02      0.145225D+02      0.161584D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.130552D+03      0.193458D+02      0.215252D+02
   aniso      0.577168D+02      0.855274D+01      0.951621D+01
   xx         0.166027D+03      0.246026D+02      0.273741D+02
   yx        -0.598266D+01     -0.886538D+00     -0.986407D+00
   yy         0.120726D+03      0.178898D+02      0.199051D+02
   zx         0.714589D+01      0.105891D+01      0.117820D+01
   zy        -0.414087D+01     -0.613614D+00     -0.682738D+00
   zz         0.104904D+03      0.155452D+02      0.172963D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -2.06667301         -2.48974307          3.06040627
     6         -1.85502832          0.36453596          3.27954930
     6          0.30716853          1.73647588          1.70476399
     6          1.51936924          0.12999996         -0.25463645
     6          1.19001027          0.24521628         -2.75292087
     6          2.40750353         -1.44849845         -4.60593350
     8          1.96336560         -1.19610768         -6.84837253
     6         -1.76216538          1.17117838          6.04229431
     6         -3.80812930          1.92325358          1.73934810
     6         -1.67651150          3.70313849          0.84555525
     6          4.19227983         -3.49115380         -3.68907696
     1         -5.35530493          2.76204018          2.81087152
     1         -4.59984821          0.82766172          0.18432697
     1          1.79612826          2.48223289          2.92913049
     1         -1.67702146          4.23438129         -1.13979013
     1         -1.56153376          5.42664683          1.96392515
     1         -0.48951784         -3.44176277          3.99555626
     1         -2.11024358         -3.10015099          1.09249783
     1         -3.80812153         -3.13743886          3.96240848
     1         -3.45985660          0.54634865          7.03802592
     1         -1.63823526          3.22196652          6.23118526
     1         -0.12582657          0.34625302          6.99477331
     1          2.77774484         -1.30813145          0.49486665
     1         -0.04473129          1.63721051         -3.60562643
     1          5.77749407         -2.67329479         -2.65183902
     1          4.90098797         -4.52768878         -5.31481325
     1          3.22401474         -4.79384777         -2.41461386

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.163722D+01      0.416139D+01      0.138809D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.163722D+01      0.416139D+01      0.138809D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.122679D+03      0.181792D+02      0.202271D+02
   aniso      0.542071D+02      0.803267D+01      0.893755D+01
   xx         0.108239D+03      0.160394D+02      0.178462D+02
   yx        -0.118505D+02     -0.175606D+01     -0.195388D+01
   yy         0.110524D+03      0.163779D+02      0.182229D+02
   zx        -0.155677D+02     -0.230689D+01     -0.256676D+01
   zy         0.805398D+01      0.119348D+01      0.132792D+01
   zz         0.149276D+03      0.221204D+02      0.246122D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.130552D+03      0.193458D+02      0.215252D+02
   aniso      0.577168D+02      0.855274D+01      0.951621D+01
   xx         0.114974D+03      0.170375D+02      0.189567D+02
   yx        -0.116199D+02     -0.172189D+01     -0.191586D+01
   yy         0.116954D+03      0.173308D+02      0.192831D+02
   zx        -0.163308D+02     -0.241997D+01     -0.269258D+01
   zy         0.832352D+01      0.123342D+01      0.137236D+01
   zz         0.159728D+03      0.236693D+02      0.263356D+02

 ----------------------------------------------------------------------
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 IF YOU WISH TO UNDERSTAND THE FRAGRANCE OF THE ROSE, 
 OR THE TENACITY OF THE OAK; 
 IF YOU ARE NOT SATISFIED UNTIL YOU KNOW THE SECRET PATHS 
 BY WHICH THE SUNSHINE AND THE AIR ACHIEVE THESE WONDERS; 
 IF YOU WISH TO SEE THE PATTERN WHICH UNDERLIES ONE LARGE FIELD OF 
 HUMAN EXPERIENCE AND HUMAN MEASUREMENT, THEN TAKE UP CHEMISTRY.

                                         -- C. A. COULSON, 1973.
 Job cpu time:       0 days 18 hours 16 minutes 51.6 seconds.
 Elapsed time:       0 days  2 hours 17 minutes 12.1 seconds.
 File lengths (MBytes):  RWF=    454 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 23:30:44 2021.
